methyl 4-[3-(3-methylbutylamino)-2-(3-methylbutylcarbamoyl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[3-(3-methylbutylamino)-2-(3-methylbutylcarbamoyl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[3-(isopentylamino)-2-(isopentylcarbamoyl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[3-(3-methylbutylamino)-2-[(3-methylbutylamino)-oxomethyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(3-methylbutylamino)-2-(3-methylbutylcarbamoyl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[3-(isoamylamino)-2-(isoamylcarbamoyl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C(=O)NCCC(C)C

Isomeric SMILES

CC(C)CCNC(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C(=O)NCCC(C)C

InChI

InChI=1S/C22H32N2O4/c1-15(2)10-12-23-20(25)19(21(26)24-13-11-16(3)4)14-17-6-8-18(9-7-17)22(27)28-5/h6-9,14-16H,10-13H2,1-5H3,(H,23,25)(H,24,26)