[(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] pentanoate

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] pentanoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] pentanoate CAS Name: pentanoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] pentanoate Traditional Name: valeric acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C22H26ClNO2 MolecularWeight: 371.90034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C2CCN(CC(C2=C1)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCCC(=O)OC1=C(C=C2CCN(C[C@H](C2=C1)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C22H26ClNO2/c1-3-4-10-22(25)26-21-14-18-17(13-20(21)23)11-12-24(2)15-19(18)16-8-6-5-7-9-16/h5-9,13-14,19H,3-4,10-12,15H2,1-2H3/t19-/m0/s1