2-azanyl-3-[(3-cyanophenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid

Systemtic Name: 2-azanyl-3-[(3-cyanophenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid Openeye Name: 2-amino-3-[(3-cyanophenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid CAS Name: 2-amino-3-[(3-cyanophenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid IUPAC Name: 2-amino-3-[(3-cyanophenyl)methyl]-6,7-dimethoxy-3-methoxycarbonyl-2-methyl-4H-quinoline-1-carboxylic acid Traditional Name: 2-amino-3-carbomethoxy-3-(3-cyanobenzyl)-6,7-dimethoxy-2-methyl-4H-quinoline-1-carboxylic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC2=CC(=C(C=C2N1C(=O)O)OC)OC)(CC3=CC=CC(=C3)C#N)C(=O)OC)N

Isomeric SMILES

CC1(C(CC2=CC(=C(C=C2N1C(=O)O)OC)OC)(CC3=CC=CC(=C3)C#N)C(=O)OC)N

InChI

InChI=1S/C23H25N3O6/c1-22(25)23(20(27)32-4,11-14-6-5-7-15(8-14)13-24)12-16-9-18(30-2)19(31-3)10-17(16)26(22)21(28)29/h5-10H,11-12,25H2,1-4H3,(H,28,29)