N-(3,4-dimethylphenyl)-2-[3-(2-oxidanylideneazepan-1-yl)propylamino]ethanamide; ethanedioic acid

Systemtic Name: N-(3,4-dimethylphenyl)-2-[3-(2-oxidanylideneazepan-1-yl)propylamino]ethanamide; ethanedioic acid Openeye Name: N-(3,4-dimethylphenyl)-2-[3-(2-oxoazepan-1-yl)propylamino]acetamide; oxalic acid CAS Name: N-(3,4-dimethylphenyl)-2-[3-(2-oxo-1-azepanyl)propylamino]acetamide; oxalic acid IUPAC Name: N-(3,4-dimethylphenyl)-2-[3-(2-oxoazepan-1-yl)propylamino]acetamide; oxalic acid Traditional Name: N-(3,4-dimethylphenyl)-2-[3-(2-ketoazepan-1-yl)propylamino]acetamide; oxalic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNCCCN2CCCCCC2=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNCCCN2CCCCCC2=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O2.C2H2O4/c1-15-8-9-17(13-16(15)2)21-18(23)14-20-10-6-12-22-11-5-3-4-7-19(22)24;3-1(4)2(5)6/h8-9,13,20H,3-7,10-12,14H2,1-2H3,(H,21,23);(H,3,4)(H,5,6)