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

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] cyclopentanecarboxylate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic 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] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C23H26ClNO2 MolecularWeight: 383.91104

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4CCCC4)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC=CC=C3)OC(=O)C4CCCC4)Cl

InChI

InChI=1S/C23H26ClNO2/c1-25-12-11-18-13-21(24)22(27-23(26)17-9-5-6-10-17)14-19(18)20(15-25)16-7-3-2-4-8-16/h2-4,7-8,13-14,17,20H,5-6,9-12,15H2,1H3/t20-/m0/s1