[4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxidanylidene-ethyl]phenyl] ethanoate

Systemtic Name: [4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxidanylidene-ethyl]phenyl] ethanoate Openeye Name: [4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxo-ethyl]phenyl] acetate CAS Name: acetic acid [4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxoethyl]phenyl] ester IUPAC Name: [4-[2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-oxoethyl]phenyl] acetate Traditional Name: acetic acid [4-[2-keto-2-(7-methoxy-4-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]phenyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(CCN1C(=O)CC3=CC=C(C=C3)OC(=O)C)C=CC(=C2)OC

Isomeric SMILES

CC1CC2=C(CCN1C(=O)CC3=CC=C(C=C3)OC(=O)C)C=CC(=C2)OC

InChI

InChI=1S/C22H25NO4/c1-15-12-19-14-21(26-3)9-6-18(19)10-11-23(15)22(25)13-17-4-7-20(8-5-17)27-16(2)24/h4-9,14-15H,10-13H2,1-3H3