4-[(4-butylphenyl)amino]-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-butylphenyl)amino]-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-(4-butylanilino)-2-[2-(1-cyclohexenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-(4-butylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-(4-butylanilino)-2-[2-(cyclohexen-1-yl)ethylamino]-4-keto-butyric acid Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CCCCC2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCC2=CCCCC2

InChI

InChI=1S/C22H32N2O3/c1-2-3-7-18-10-12-19(13-11-18)24-21(25)16-20(22(26)27)23-15-14-17-8-5-4-6-9-17/h8,10-13,20,23H,2-7,9,14-16H2,1H3,(H,24,25)(H,26,27)