2-[2-[[5-carbamimidoyl-3-(phenylmethyl)indol-1-yl]methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[[5-carbamimidoyl-3-(phenylmethyl)indol-1-yl]methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(3-benzyl-5-carbamimidoyl-indol-1-yl)methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[[5-carbamimidoyl-3-(phenylmethyl)-1-indolyl]methyl]-4-methylphenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(3-benzyl-5-carbamimidoylindol-1-yl)methyl]-4-methylphenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidino-3-benzyl-indol-1-yl)methyl]-4-methyl-phenyl]-5-methoxy-benzoic acid Formula: C32H29N3O3 MolecularWeight: 503.59096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O)CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(C=C2)OC)C(=O)O)CN3C=C(C4=C3C=CC(=C4)C(=N)N)CC5=CC=CC=C5

InChI

InChI=1S/C32H29N3O3/c1-20-8-11-26(27-12-10-25(38-2)17-29(27)32(36)37)23(14-20)18-35-19-24(15-21-6-4-3-5-7-21)28-16-22(31(33)34)9-13-30(28)35/h3-14,16-17,19H,15,18H2,1-2H3,(H3,33,34)(H,36,37)