octyl 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: octyl 3-(4-methoxyphenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: octyl 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid octyl ester IUPAC Name: octyl 3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-p-anisoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid octyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCCOC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H35NO4/c1-3-4-5-6-7-10-19-31-26(29)22-11-8-9-18-27-23(22)16-17-24(27)25(28)20-12-14-21(30-2)15-13-20/h12-17,22H,3-11,18-19H2,1-2H3