N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-8,13-bis(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide

Systemtic Name: N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-8,13-bis(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide Openeye Name: N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxo-propyl]-8,13-bis(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide CAS Name: N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-8,13-bis(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide IUPAC Name: N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-oxopropyl]-8,13-bis(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanamide Traditional Name: N-(2-hydroxyethyl)-3-[18-[3-(2-hydroxyethylamino)-3-keto-propyl]-8,13-bis(1-methoxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionamide Formula: C40H52N6O6 MolecularWeight: 712.87748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC)C)C(=C4CCC(=O)NCCO)C)C(=C3C)CCC(=O)NCCO)C(C)OC

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)OC)C)C(=C4CCC(=O)NCCO)C)C(=C3C)CCC(=O)NCCO)C(C)OC

InChI

InChI=1S/C40H52N6O6/c1-21-27(9-11-37(49)41-13-15-47)33-20-34-28(10-12-38(50)42-14-16-48)22(2)30(44-34)18-35-40(26(6)52-8)24(4)32(46-35)19-36-39(25(5)51-7)23(3)31(45-36)17-29(21)43-33/h17-20,25-26,45-48H,9-16H2,1-8H3,(H,41,49)(H,42,50)