4-[[6-(dodecanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[6-(dodecanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-(dodecanoylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[6-(1-oxododecylamino)-1-indolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(dodecanoylamino)indol-1-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-(lauroylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid Formula: C29H38N2O4 MolecularWeight: 478.62302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C29H38N2O4/c1-3-4-5-6-7-8-9-10-11-12-28(32)30-25-16-15-22-17-18-31(26(22)20-25)21-24-14-13-23(29(33)34)19-27(24)35-2/h13-20H,3-12,21H2,1-2H3,(H,30,32)(H,33,34)