2-[[2-azanyl-4-[4-(diphenylmethyl)piperazin-1-yl]-2-methyl-4-oxidanylidene-butanoyl]amino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[[2-azanyl-4-[4-(diphenylmethyl)piperazin-1-yl]-2-methyl-4-oxidanylidene-butanoyl]amino]-5-chloranyl-benzoic acid Openeye Name: 2-[[2-amino-4-(4-benzhydrylpiperazin-1-yl)-2-methyl-4-oxo-butanoyl]amino]-5-chloro-benzoic acid CAS Name: 2-[[2-amino-4-[4-(diphenylmethyl)-1-piperazinyl]-2-methyl-1,4-dioxobutyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[[2-amino-4-(4-benzhydrylpiperazin-1-yl)-2-methyl-4-oxobutanoyl]amino]-5-chlorobenzoic acid Traditional Name: 2-[[2-amino-4-(4-benzhydrylpiperazino)-4-keto-2-methyl-butanoyl]amino]-5-chloro-benzoic acid Formula: C29H31ClN4O4 MolecularWeight: 535.03384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O)N

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)(C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O)N

InChI

InChI=1S/C29H31ClN4O4/c1-29(31,28(38)32-24-13-12-22(30)18-23(24)27(36)37)19-25(35)33-14-16-34(17-15-33)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,26H,14-17,19,31H2,1H3,(H,32,38)(H,36,37)