11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine-2,9-dicarboxylic acid

Systemtic Name: 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine-2,9-dicarboxylic acid Openeye Name: 11-(1-methyl-4-piperidylidene)pyrrolo[2,1-b][3]benzazepine-2,9-dicarboxylic acid CAS Name: 11-(1-methyl-4-piperidinylidene)pyrrolo[2,1-b][3]benzazepine-2,9-dicarboxylic acid IUPAC Name: 11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine-2,9-dicarboxylic acid Traditional Name: 11-(1-methyl-4-piperidylidene)pyrrolo[2,1-b][3]benzazepine-2,9-dicarboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC(=CN3C=CC4=C2C=C(C=C4)C(=O)O)C(=O)O)CC1

Isomeric SMILES

CN1CCC(=C2C3=CC(=CN3C=CC4=C2C=C(C=C4)C(=O)O)C(=O)O)CC1

InChI

InChI=1S/C21H20N2O4/c1-22-7-4-14(5-8-22)19-17-10-15(20(24)25)3-2-13(17)6-9-23-12-16(21(26)27)11-18(19)23/h2-3,6,9-12H,4-5,7-8H2,1H3,(H,24,25)(H,26,27)