tert-butyl 7-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 7-[[2-oxidanylidene-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 7-[[2-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-[[2-keto-1-(3-phenylpropyl)pyrrolidin-3-yl]methoxy]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C29H38N2O4 MolecularWeight: 478.62302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)OCC3CCN(C3=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)OCC3CCN(C3=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H38N2O4/c1-29(2,3)35-28(33)31-18-13-23-11-12-26(20-24(23)14-19-31)34-21-25-15-17-30(27(25)32)16-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,20,25H,7,10,13-19,21H2,1-3H3