11-(1-ethoxycarbonylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid

Systemtic Name: 11-(1-ethoxycarbonylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid Openeye Name: 11-(1-ethoxycarbonyl-4-piperidylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid CAS Name: 11-(1-ethoxycarbonyl-4-piperidinylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid IUPAC Name: 11-(1-ethoxycarbonylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid Traditional Name: 11-(1-carbethoxy-4-piperidylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C(=O)O)CC1

Isomeric SMILES

CCOC(=O)N1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C(=O)O)CC1

InChI

InChI=1S/C21H23N3O4/c1-2-28-21(27)23-10-7-15(8-11-23)18-16-6-4-3-5-14(16)9-12-24-17(20(25)26)13-22-19(18)24/h3-6,13H,2,7-12H2,1H3,(H,25,26)