4-[3-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]propanoyl-(4-methoxyphenyl)amino]butanoic acid

Systemtic Name: 4-[3-[(4-chlorophenyl)carbonyl-(2,6-dimethylphenyl)amino]propanoyl-(4-methoxyphenyl)amino]butanoic acid Openeye Name: 4-[N-[3-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)propanoyl]-4-methoxy-anilino]butanoic acid CAS Name: 4-(N-[3-(N-[(4-chlorophenyl)-oxomethyl]-2,6-dimethylanilino)-1-oxopropyl]-4-methoxyanilino)butanoic acid IUPAC Name: 4-[N-[3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoyl]-4-methoxyanilino]butanoic acid Traditional Name: 4-[N-[3-(N-(4-chlorobenzoyl)-2,6-dimethyl-anilino)propanoyl]-4-methoxy-anilino]butyric acid Formula: C29H31ClN2O5 MolecularWeight: 523.01984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(CCC(=O)N(CCCC(=O)O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(CCC(=O)N(CCCC(=O)O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C29H31ClN2O5/c1-20-6-4-7-21(2)28(20)32(29(36)22-9-11-23(30)12-10-22)19-17-26(33)31(18-5-8-27(34)35)24-13-15-25(37-3)16-14-24/h4,6-7,9-16H,5,8,17-19H2,1-3H3,(H,34,35)