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

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-methoxybenzoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C25H24ClNO3/c1-27-13-12-19-14-23(26)24(30-25(28)18-8-10-20(29-2)11-9-18)15-21(19)22(16-27)17-6-4-3-5-7-17/h3-11,14-15,22H,12-13,16H2,1-2H3/t22-/m0/s1