2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-methoxycarbonyl-benzoic acid

Systemtic Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-methoxycarbonyl-benzoic acid Openeye Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-methoxycarbonyl-benzoic acid CAS Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-methoxycarbonylbenzoic acid IUPAC Name: 2-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-methoxycarbonylbenzoic acid Traditional Name: 2-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-5-carbomethoxy-benzoic acid Formula: C32H29N3O4 MolecularWeight: 519.59036

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)OC)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1(CC(NC2=C1C=C(C=C2)C(=N)N)C3=CC=CC(=C3)C4=C(C=C(C=C4)C(=O)OC)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C32H29N3O4/c1-32(23-9-4-3-5-10-23)18-28(35-27-14-12-21(29(33)34)17-26(27)32)20-8-6-7-19(15-20)24-13-11-22(31(38)39-2)16-25(24)30(36)37/h3-17,28,35H,18H2,1-2H3,(H3,33,34)(H,36,37)