(3R)-5-[(4-tert-butylphenyl)amino]-3-(2,4-dichlorophenyl)-5-oxidanylidene-pentanoate

Systemtic Name: (3R)-5-[(4-tert-butylphenyl)amino]-3-(2,4-dichlorophenyl)-5-oxidanylidene-pentanoate Openeye Name: (3R)-5-(4-tert-butylanilino)-3-(2,4-dichlorophenyl)-5-oxo-pentanoate CAS Name: (3R)-5-(4-tert-butylanilino)-3-(2,4-dichlorophenyl)-5-oxopentanoate IUPAC Name: (3R)-5-(4-tert-butylanilino)-3-(2,4-dichlorophenyl)-5-oxopentanoate Traditional Name: (3R)-5-(4-tert-butylanilino)-3-(2,4-dichlorophenyl)-5-keto-valerate Formula: C21H22Cl2NO3- MolecularWeight: 407.31028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CC(CC(=O)[O-])C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[C@H](CC(=O)[O-])C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO3/c1-21(2,3)14-4-7-16(8-5-14)24-19(25)10-13(11-20(26)27)17-9-6-15(22)12-18(17)23/h4-9,12-13H,10-11H2,1-3H3,(H,24,25)(H,26,27)/p-1/t13-/m1/s1