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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-3-methoxy-piperidin-1-yl]butanoic acid Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-1-piperidyl]butanoic acid CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-3-methoxy-1-piperidinyl]butanoic acid IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidin-1-yl]butanoic acid Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-3-methoxy-piperidino]butyric acid Formula: C18H26ClN3O5 MolecularWeight: 399.86914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CCC(C(C1)OC)NC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CCC(C(=O)O)N1CCC(C(C1)OC)NC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C18H26ClN3O5/c1-4-14(18(24)25)22-6-5-13(16(9-22)27-3)21-17(23)10-7-11(19)12(20)8-15(10)26-2/h7-8,13-14,16H,4-6,9,20H2,1-3H3,(H,21,23)(H,24,25)