2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-5-methoxy-benzoic acid Openeye Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-5-methoxy-benzoic acid CAS Name: 2-[2-[(5-carbamimidoyl-1-indolyl)methyl]-5-[[2-(3-chlorophenyl)ethylamino]-oxomethyl]phenyl]-5-methoxybenzoic acid IUPAC Name: 2-[2-[(5-carbamimidoylindol-1-yl)methyl]-5-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-5-methoxybenzoic acid Traditional Name: 2-[2-[(5-amidinoindol-1-yl)methyl]-5-[2-(3-chlorophenyl)ethylcarbamoyl]phenyl]-5-methoxy-benzoic acid Formula: C33H29ClN4O4 MolecularWeight: 581.06076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCC3=CC(=CC=C3)Cl)CN4C=CC5=C4C=CC(=C5)C(=N)N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCC3=CC(=CC=C3)Cl)CN4C=CC5=C4C=CC(=C5)C(=N)N)C(=O)O

InChI

InChI=1S/C33H29ClN4O4/c1-42-26-8-9-27(29(18-26)33(40)41)28-17-23(32(39)37-13-11-20-3-2-4-25(34)15-20)5-6-24(28)19-38-14-12-21-16-22(31(35)36)7-10-30(21)38/h2-10,12,14-18H,11,13,19H2,1H3,(H3,35,36)(H,37,39)(H,40,41)