methyl 3-(8,13-diethyl-3,7,12,17,20-pentamethyl-22,23-dihydroporphyrin-2-yl)propanoate

Systemtic Name: methyl 3-(8,13-diethyl-3,7,12,17,20-pentamethyl-22,23-dihydroporphyrin-2-yl)propanoate Openeye Name: methyl 3-(8,13-diethyl-3,7,12,17,20-pentamethyl-22,23-dihydroporphyrin-2-yl)propanoate CAS Name: 3-(8,13-diethyl-3,7,12,17,20-pentamethyl-22,23-dihydroporphyrin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(8,13-diethyl-3,7,12,17,20-pentamethyl-22,23-dihydroporphyrin-2-yl)propanoate Traditional Name: 3-(8,13-diethyl-3,7,12,17,20-pentamethyl-22,23-dihydroporphin-2-yl)propionic acid methyl ester Formula: C33H38N4O2 MolecularWeight: 522.68042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C=C(C(=N5)C=C1N2)C)C)CCC(=O)OC)C)C)CC)C

Isomeric SMILES

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C(=C5C=C(C(=N5)C=C1N2)C)C)CCC(=O)OC)C)C)CC)C

InChI

InChI=1S/C33H38N4O2/c1-9-22-19(5)28-16-31-23(10-2)18(4)27(35-31)15-29-20(6)24(11-12-32(38)39-8)33(37-29)21(7)26-13-17(3)25(34-26)14-30(22)36-28/h13-16,35-36H,9-12H2,1-8H3