(phenylmethyl) 2-(2-ethoxy-2-oxidanylidene-ethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-8-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-ethoxy-2-oxidanylidene-ethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-8-carboxylate Openeye Name: benzyl 2-(2-ethoxy-2-oxo-ethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-8-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-8-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-ethoxy-2-oxoethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-8-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-8-carboxylic acid benzyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCCC2=C(N1)C=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1CCCC2=C(N1)C=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4/c1-2-26-21(24)14-19-10-6-9-17-11-12-18(13-20(17)23-19)22(25)27-15-16-7-4-3-5-8-16/h3-5,7-8,11-13,19,23H,2,6,9-10,14-15H2,1H3