2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-[(phenylmethyl)carbamoyl]phenyl]-5-methyl-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-[(phenylmethyl)carbamoyl]phenyl]-5-methyl-benzoic acid Openeye Name: 2-[5-(benzylcarbamoyl)-2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-1-indolyl)methyl]-5-[oxo-[(phenylmethyl)amino]methyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[5-(benzylcarbamoyl)-2-[(5-carbamimidoylindol-1-yl)methyl]phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]-5-(benzylcarbamoyl)phenyl]-5-methyl-benzoic acid Formula: C32H28N4O3 MolecularWeight: 516.58972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)CN4C=CC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)CN4C=CC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C32H28N4O3/c1-20-7-11-26(28(15-20)32(38)39)27-17-24(31(37)35-18-21-5-3-2-4-6-21)8-9-25(27)19-36-14-13-22-16-23(30(33)34)10-12-29(22)36/h2-17H,18-19H2,1H3,(H3,33,34)(H,35,37)(H,38,39)