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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O)N

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC(C(=O)NC4=C(C=C(C=C4)Cl)C(=O)O)N

InChI

InChI=1S/C29H31ClN4O4/c30-22-11-13-25(23(19-22)29(37)38)32-28(36)24(31)12-14-26(35)33-15-17-34(18-16-33)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,13,19,24,27H,12,14-18,31H2,(H,32,36)(H,37,38)