methyl 3-(7-ethenyl-13,17-diethyl-3,8,12,18-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate

Systemtic Name: methyl 3-(7-ethenyl-13,17-diethyl-3,8,12,18-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate Openeye Name: methyl 3-(13,17-diethyl-3,8,12,18-tetramethyl-7-vinyl-22,24-dihydroporphyrin-2-yl)propanoate CAS Name: 3-(7-ethenyl-13,17-diethyl-3,8,12,18-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(7-ethenyl-13,17-diethyl-3,8,12,18-tetramethyl-22,24-dihydroporphyrin-2-yl)propanoate Traditional Name: 3-(13,17-diethyl-3,8,12,18-tetramethyl-7-vinyl-22,24-dihydroporphin-2-yl)propionic acid methyl ester Formula: C34H38N4O2 MolecularWeight: 534.69112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(=C5C)CCC(=O)OC)N4)C=C)C)C)CC

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)N2)C(=C5C)CCC(=O)OC)N4)C=C)C)C)CC

InChI

InChI=1S/C34H38N4O2/c1-9-22-18(4)26-14-27-19(5)23(10-2)31(36-27)17-32-24(11-3)20(6)28(37-32)16-33-25(12-13-34(39)40-8)21(7)29(38-33)15-30(22)35-26/h9,14-17,35,37H,1,10-13H2,2-8H3