dimethyl 5-methyl-1-(phenylmethyl)-4,5-dihydroazepine-2,3-dicarboxylate

Systemtic Name: dimethyl 5-methyl-1-(phenylmethyl)-4,5-dihydroazepine-2,3-dicarboxylate Openeye Name: dimethyl 1-benzyl-5-methyl-4,5-dihydroazepine-2,3-dicarboxylate CAS Name: 5-methyl-1-(phenylmethyl)-4,5-dihydroazepine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-benzyl-5-methyl-4,5-dihydroazepine-2,3-dicarboxylate Traditional Name: 1-benzyl-5-methyl-4,5-dihydroazepine-2,3-dicarboxylic acid dimethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C(N(C=C1)CC2=CC=CC=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1CC(=C(N(C=C1)CC2=CC=CC=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H21NO4/c1-13-9-10-19(12-14-7-5-4-6-8-14)16(18(21)23-3)15(11-13)17(20)22-2/h4-10,13H,11-12H2,1-3H3