[4-[4-(1,4-diazepan-1-yl)butanoylamino]-3,5-dimethyl-phenyl] ethanoate

Systemtic Name: [4-[4-(1,4-diazepan-1-yl)butanoylamino]-3,5-dimethyl-phenyl] ethanoate Openeye Name: [4-[4-(1,4-diazepan-1-yl)butanoylamino]-3,5-dimethyl-phenyl] acetate CAS Name: acetic acid [4-[[4-(1,4-diazepan-1-yl)-1-oxobutyl]amino]-3,5-dimethylphenyl] ester IUPAC Name: [4-[4-(1,4-diazepan-1-yl)butanoylamino]-3,5-dimethylphenyl] acetate Traditional Name: acetic acid [4-[4-(1,4-diazepan-1-yl)butanoylamino]-3,5-dimethyl-phenyl] ester Formula: C19H29N3O3 MolecularWeight: 347.45186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CCCN2CCCNCC2)C)OC(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CCCN2CCCNCC2)C)OC(=O)C

InChI

InChI=1S/C19H29N3O3/c1-14-12-17(25-16(3)23)13-15(2)19(14)21-18(24)6-4-9-22-10-5-7-20-8-11-22/h12-13,20H,4-11H2,1-3H3,(H,21,24)