ethanedioic acid; 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepane

Systemtic Name: ethanedioic acid; 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepane Openeye Name: 1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-4-methyl-1,4-diazepane; oxalic acid CAS Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-methyl-1,4-diazepane; oxalic acid IUPAC Name: 1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-methyl-1,4-diazepane; oxalic acid Traditional Name: 1-(4-methoxy-2,3-dimethyl-benzyl)-4-methyl-1,4-diazepane; oxalic acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)CN2CCCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)CN2CCCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O.C2H2O4/c1-13-14(2)16(19-4)7-6-15(13)12-18-9-5-8-17(3)10-11-18;3-1(4)2(5)6/h6-7H,5,8-12H2,1-4H3;(H,3,4)(H,5,6)