2-[3-oxidanylidene-7-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-7-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(2-benzyloxy-2-oxo-ethyl)amino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[3-oxo-7-[(2-oxo-2-phenylmethoxyethyl)amino]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[3-oxo-7-[(2-oxo-2-phenylmethoxyethyl)amino]-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[(2-benzoxy-2-keto-ethyl)amino]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C29H30N2O5 MolecularWeight: 486.5589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)NCC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)NCC(=O)OCC3=CC=CC=C3)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C29H30N2O5/c32-27(33)17-25-15-24-16-26(30-18-28(34)36-20-22-9-5-2-6-10-22)12-11-23(24)19-31(29(25)35)14-13-21-7-3-1-4-8-21/h1-12,16,25,30H,13-15,17-20H2,(H,32,33)