4-[2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-1-piperidyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-piperidino]acetyl]amino]benzoic acid Formula: C23H27ClN4O6 MolecularWeight: 490.93668

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27ClN4O6/c1-33-19-10-17(25)16(24)9-15(19)22(30)27-18-7-8-28(11-20(18)34-2)12-21(29)26-14-5-3-13(4-6-14)23(31)32/h3-6,9-10,18,20H,7-8,11-12,25H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)