(2S)-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: (2S)-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: (2S)-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: (2S)-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: (2S)-2-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: (2S)-2-methyl-4-(2,3,4-trimethoxybenzyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC2=CC=CC=C2O1)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

C[C@H]1CN(CC2=CC=CC=C2O1)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C20H25NO4/c1-14-11-21(12-15-7-5-6-8-17(15)25-14)13-16-9-10-18(22-2)20(24-4)19(16)23-3/h5-10,14H,11-13H2,1-4H3/t14-/m0/s1