[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCCCCC2)N

InChI

InChI=1S/C17H24N2O3/c1-13-7-8-14(11-15(13)18)17(21)22-12-16(20)19-9-5-3-2-4-6-10-19/h7-8,11H,2-6,9-10,12,18H2,1H3