propan-2-yl 3-(4-ethylphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 3-(4-ethylphenyl)carbonyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-(4-ethylbenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-[(4-ethylphenyl)-oxomethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-ethylbenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-(4-ethylbenzoyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCCCC3C(=O)OC(C)C)C

InChI

InChI=1S/C23H29NO3/c1-5-17-9-11-18(12-10-17)22(25)21-16(4)14-20-19(23(26)27-15(2)3)8-6-7-13-24(20)21/h9-12,14-15,19H,5-8,13H2,1-4H3