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

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 2-methylpropanoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C21H24ClNO2 MolecularWeight: 357.87376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO2/c1-14(2)21(24)25-20-12-17-16(11-19(20)22)9-10-23(3)13-18(17)15-7-5-4-6-8-15/h4-8,11-12,14,18H,9-10,13H2,1-3H3/t18-/m0/s1