[(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] 4-chloranylbenzoate

Systemtic Name: [(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] 4-chloranylbenzoate Openeye Name: [(8-anilino-8-oxo-octanoyl)amino] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(8-anilino-1,8-dioxooctyl)amino] ester IUPAC Name: [(8-anilino-8-oxooctanoyl)amino] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(8-anilino-8-keto-octanoyl)amino] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN2O4/c22-17-14-12-16(13-15-17)21(27)28-24-20(26)11-7-2-1-6-10-19(25)23-18-8-4-3-5-9-18/h3-5,8-9,12-15H,1-2,6-7,10-11H2,(H,23,25)(H,24,26)