tert-butyl 2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3R,5R)-3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[(3R,5R)-3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[(3R,5R)-2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(C3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N[C@@H]2C[C@@H](C3=CC=CC=C3N(C2=O)CC(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4/c1-20-11-10-14-22(17-20)31-29(36)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)33(28(25)35)19-27(34)37-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H2,31,32,36)/t24-,25-/m1/s1