4-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[3-(6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[3-(6-amidino-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]isophthalic acid Formula: C31H27N3O4 MolecularWeight: 505.56378

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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)O)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)O)C(=O)O)C5=CC=CC=C5

InChI

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