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

Systemtic Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate Openeye Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate CAS Name: acetic acid [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] ester IUPAC Name: [(3R,4S)-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl] acetate Traditional Name: acetic acid [(3R,4S)-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-16(26)29-22-20(17-9-11-19(28-4)12-10-17)15-18-7-5-6-8-21(18)25(23(22)27)14-13-24(2)3/h5-12,20,22H,13-15H2,1-4H3/t20-,22+/m0/s1