O3-ethyl O6-methyl 4-[[4-(azepan-1-yl)phenyl]amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-[[4-(azepan-1-yl)phenyl]amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-[4-(azepan-1-yl)anilino]quinoline-3,6-dicarboxylate CAS Name: 4-[4-(1-azepanyl)anilino]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-[4-(azepan-1-yl)anilino]quinoline-3,6-dicarboxylate Traditional Name: 4-[4-(azepan-1-yl)anilino]quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CCCCCC4)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=C(C=C3)N4CCCCCC4)C(=O)OC

InChI

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