(4S,5S)-4-(3,4-dimethoxyphenyl)-7-ethoxy-5-methyl-2-phenyl-4,5-dihydro-3,1-benzoxazepine

Systemtic Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-7-ethoxy-5-methyl-2-phenyl-4,5-dihydro-3,1-benzoxazepine Openeye Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-7-ethoxy-5-methyl-2-phenyl-4,5-dihydro-3,1-benzoxazepine CAS Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-7-ethoxy-5-methyl-2-phenyl-4,5-dihydro-3,1-benzoxazepine IUPAC Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-7-ethoxy-5-methyl-2-phenyl-4,5-dihydro-3,1-benzoxazepine Traditional Name: (4S,5S)-4-(3,4-dimethoxyphenyl)-7-ethoxy-5-methyl-2-phenyl-4,5-dihydro-3,1-benzoxazepine Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(OC(C2C)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(O[C@@H]([C@H]2C)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO4/c1-5-30-20-12-13-22-21(16-20)17(2)25(19-11-14-23(28-3)24(15-19)29-4)31-26(27-22)18-9-7-6-8-10-18/h6-17,25H,5H2,1-4H3/t17-,25-/m0/s1