4-[(4-butylphenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-butylphenyl)amino]-2-(3-methylbutylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butylanilino)-2-(isopentylamino)-4-oxo-butanoic acid CAS Name: 4-(4-butylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-butylanilino)-2-(3-methylbutylamino)-4-oxobutanoic acid Traditional Name: 4-(4-butylanilino)-2-(isoamylamino)-4-keto-butyric acid Formula: C19H30N2O3 MolecularWeight: 334.4531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC(C)C

InChI

InChI=1S/C19H30N2O3/c1-4-5-6-15-7-9-16(10-8-15)21-18(22)13-17(19(23)24)20-12-11-14(2)3/h7-10,14,17,20H,4-6,11-13H2,1-3H3,(H,21,22)(H,23,24)