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

Systemtic Name: 4-[(4-butylphenyl)amino]-2-(2-methylpropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butylanilino)-2-(isobutylamino)-4-oxo-butanoic acid CAS Name: 4-(4-butylanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-butylanilino)-2-(2-methylpropylamino)-4-oxobutanoic acid Traditional Name: 4-(4-butylanilino)-2-(isobutylamino)-4-keto-butyric acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-4-5-6-14-7-9-15(10-8-14)20-17(21)11-16(18(22)23)19-12-13(2)3/h7-10,13,16,19H,4-6,11-12H2,1-3H3,(H,20,21)(H,22,23)