O3-ethyl O8-methyl 4-[[4-(azepan-1-yl)phenyl]amino]quinoline-3,8-dicarboxylate

Systemtic Name: O3-ethyl O8-methyl 4-[[4-(azepan-1-yl)phenyl]amino]quinoline-3,8-dicarboxylate Openeye Name: O3-ethyl O8-methyl 4-[4-(azepan-1-yl)anilino]quinoline-3,8-dicarboxylate CAS Name: 4-[4-(1-azepanyl)anilino]quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester IUPAC Name: 3-O-ethyl 8-O-methyl 4-[4-(azepan-1-yl)anilino]quinoline-3,8-dicarboxylate Traditional Name: 4-[4-(azepan-1-yl)anilino]quinoline-3,8-dicarboxylic acid O3-ethyl ester O8-methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)N4CCCCCC4)C=CC=C2C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3=CC=C(C=C3)N4CCCCCC4)C=CC=C2C(=O)OC

InChI

InChI=1S/C26H29N3O4/c1-3-33-26(31)22-17-27-23-20(9-8-10-21(23)25(30)32-2)24(22)28-18-11-13-19(14-12-18)29-15-6-4-5-7-16-29/h8-14,17H,3-7,15-16H2,1-2H3,(H,27,28)