3-[7-(2-carboxyethyl)-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid

Systemtic Name: 3-[7-(2-carboxyethyl)-13,17-bis(3-methoxy-3-oxidanylidene-propyl)-3,8,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid Openeye Name: 3-[7-(2-carboxyethyl)-13,17-bis(3-methoxy-3-oxo-propyl)-3,8,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid CAS Name: 3-[7-(2-carboxyethyl)-13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid IUPAC Name: 3-[7-(2-carboxyethyl)-13,17-bis(3-methoxy-3-oxopropyl)-3,8,12,18-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid Traditional Name: 3-[7-(2-carboxyethyl)-13,17-bis(3-keto-3-methoxy-propyl)-3,8,12,18-tetramethyl-23,24-dihydroporphin-2-yl]propionic acid Formula: C38H42N4O8 MolecularWeight: 682.76208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C38H42N4O8/c1-19-23(7-11-35(43)44)31-16-29-20(2)24(8-12-36(45)46)32(41-29)17-30-22(4)26(10-14-38(48)50-6)34(42-30)18-33-25(9-13-37(47)49-5)21(3)28(40-33)15-27(19)39-31/h15-18,40,42H,7-14H2,1-6H3,(H,43,44)(H,45,46)