[1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate

Systemtic Name: [1-[2-chloranyl-4-[(2-methylphenyl)carbonylamino]phenyl]carbonyl-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate Openeye Name: [1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-(tert-butoxycarbonylamino)acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid [1-[[2-chloro-4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester IUPAC Name: [1-[2-chloro-4-[(2-methylbenzoyl)amino]benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate Traditional Name: 2-(tert-butoxycarbonylamino)acetic acid [1-[2-chloro-4-(o-toluoylamino)benzoyl]-2,3,4,5-tetrahydro-1-benzazepin-5-yl] ester Formula: C32H34ClN3O6 MolecularWeight: 592.08186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)OC(=O)CNC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)OC(=O)CNC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C32H34ClN3O6/c1-20-10-5-6-11-22(20)29(38)35-21-15-16-23(25(33)18-21)30(39)36-17-9-14-27(24-12-7-8-13-26(24)36)41-28(37)19-34-31(40)42-32(2,3)4/h5-8,10-13,15-16,18,27H,9,14,17,19H2,1-4H3,(H,34,40)(H,35,38)