4-[3-(3-methylbutylamino)-2-(3-methylbutylcarbamoyl)-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[3-(3-methylbutylamino)-2-(3-methylbutylcarbamoyl)-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[3-(isopentylamino)-2-(isopentylcarbamoyl)-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[3-(3-methylbutylamino)-2-[(3-methylbutylamino)-oxomethyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[3-(3-methylbutylamino)-2-(3-methylbutylcarbamoyl)-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[3-(isoamylamino)-2-(isoamylcarbamoyl)-3-keto-prop-1-enyl]benzoic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O4/c1-14(2)9-11-22-19(24)18(20(25)23-12-10-15(3)4)13-16-5-7-17(8-6-16)21(26)27/h5-8,13-15H,9-12H2,1-4H3,(H,22,24)(H,23,25)(H,26,27)