2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoic acid Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)methylamino]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoic acid CAS Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-4-[2-(hydroxymethyl)-1-pyrrolidinyl]benzoic acid IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)methylamino]-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoic acid Traditional Name: 2-[(3-chloro-4-methoxy-benzyl)amino]-4-(2-methylolpyrrolidino)benzoic acid Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3CO)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C(C=CC(=C2)N3CCCC3CO)C(=O)O)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-27-19-7-4-13(9-17(19)21)11-22-18-10-14(5-6-16(18)20(25)26)23-8-2-3-15(23)12-24/h4-7,9-10,15,22,24H,2-3,8,11-12H2,1H3,(H,25,26)