2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-methoxycarbonyl-benzoic acid

Systemtic Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-methoxycarbonyl-benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-methoxycarbonyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-methoxycarbonylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-methoxycarbonylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]-5-carbomethoxy-benzoic acid Formula: C31H27N3O4 MolecularWeight: 505.56378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)C3CC(C4=C(N3)C=CC(=C4)C(=N)N)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)C3CC(C4=C(N3)C=CC(=C4)C(=N)N)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H27N3O4/c1-38-31(37)22-10-12-23(26(16-22)30(35)36)19-8-5-9-20(14-19)28-17-24(18-6-3-2-4-7-18)25-15-21(29(32)33)11-13-27(25)34-28/h2-16,24,28,34H,17H2,1H3,(H3,32,33)(H,35,36)