methyl 7,8-diacetyloxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride

Systemtic Name: methyl 7,8-diacetyloxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride Openeye Name: methyl 7,8-diacetoxy-3-benzyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride CAS Name: 7,8-diacetyloxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 7,8-diacetyloxy-3-benzyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate hydrochloride Traditional Name: 7,8-diacetoxy-3-benzyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester hydrochloride Formula: C29H30ClNO6 MolecularWeight: 524.0046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC)OC(=O)C.Cl

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OC)OC(=O)C.Cl

InChI

InChI=1S/C29H29NO6.ClH/c1-19(31)35-26-16-24-23(27(29(33)34-3)28(26)36-20(2)32)14-15-30(17-21-10-6-4-7-11-21)18-25(24)22-12-8-5-9-13-22;/h4-13,16,25H,14-15,17-18H2,1-3H3;1H