propan-2-yl 3-(3-phenylpropanoyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 3-(3-phenylpropanoyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(3-phenylpropanoyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-(1-oxo-3-phenylpropyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-phenylpropanoyl)-2,5a,6,10b-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-hydrocinnamoyl-2,5a,6,10b-tetrahydro-1H-azepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CCC2C1NC3=CC=CC=C23)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CN(CCC2C1NC3=CC=CC=C23)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-17(2)30-25(29)21-16-27(23(28)13-12-18-8-4-3-5-9-18)15-14-20-19-10-6-7-11-22(19)26-24(20)21/h3-11,16-17,20,24,26H,12-15H2,1-2H3