3-methoxy-4-[[6-(2-naphthalen-2-ylethanoylamino)indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[6-(2-naphthalen-2-ylethanoylamino)indol-1-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[6-[[2-(2-naphthyl)acetyl]amino]indol-1-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[6-[[2-(2-naphthalenyl)-1-oxoethyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[6-[(2-naphthalen-2-ylacetyl)amino]indol-1-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[6-[[2-(2-naphthyl)acetyl]amino]indol-1-yl]methyl]benzoic acid Formula: C29H24N2O4 MolecularWeight: 464.51186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CN2C=CC3=C2C=C(C=C3)NC(=O)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H24N2O4/c1-35-27-16-23(29(33)34)8-9-24(27)18-31-13-12-21-10-11-25(17-26(21)31)30-28(32)15-19-6-7-20-4-2-3-5-22(20)14-19/h2-14,16-17H,15,18H2,1H3,(H,30,32)(H,33,34)