[(3R,4S)-6-aminocarbonyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate

Systemtic Name: [(3R,4S)-6-aminocarbonyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate Openeye Name: [(3R,4S)-6-carbamoyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-6-carbamoyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [(3R,4S)-6-carbamoyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-6-carbamoyl-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C24H29N3O5 MolecularWeight: 439.50416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(=O)N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(=O)N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H29N3O5/c1-15(28)32-22-19(16-8-10-17(31-4)11-9-16)14-20-18(23(25)29)6-5-7-21(20)27(24(22)30)13-12-26(2)3/h5-11,19,22H,12-14H2,1-4H3,(H2,25,29)/t19-,22+/m0/s1