tert-butyl 3-(3-methoxyphenoxy)-1-[(2S)-2-phenylpropanoyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylate

Systemtic Name: tert-butyl 3-(3-methoxyphenoxy)-1-[(2S)-2-phenylpropanoyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylate Openeye Name: tert-butyl 3-(3-methoxyphenoxy)-1-[(2S)-2-phenylpropanoyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylate CAS Name: 3-(3-methoxyphenoxy)-1-[(2S)-1-oxo-2-phenylpropyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-methoxyphenoxy)-1-[(2S)-2-phenylpropanoyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylate Traditional Name: 3-(3-methoxyphenoxy)-1-[(2S)-2-phenylpropanoyl]-2,3,4,5-tetrahydro-1-benzazepine-7-carboxylic acid tert-butyl ester Formula: C31H35NO5 MolecularWeight: 501.6133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N2CC(CCC3=C2C=CC(=C3)C(=O)OC(C)(C)C)OC4=CC(=CC=C4)OC

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)C(=O)N2CC(CCC3=C2C=CC(=C3)C(=O)OC(C)(C)C)OC4=CC(=CC=C4)OC

InChI

InChI=1S/C31H35NO5/c1-21(22-10-7-6-8-11-22)29(33)32-20-27(36-26-13-9-12-25(19-26)35-5)16-14-23-18-24(15-17-28(23)32)30(34)37-31(2,3)4/h6-13,15,17-19,21,27H,14,16,20H2,1-5H3/t21-,27?/m0/s1