3-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid Openeye Name: 3-[(3-chloro-4-methoxy-phenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid CAS Name: 3-[(3-chloro-4-methoxyphenyl)methylamino]-5-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(3-chloro-4-methoxyphenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylic acid Traditional Name: 3-[(3-chloro-4-methoxy-benzyl)amino]-5-(2-methylolpyrrolidino)pyrazinoic acid Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=CN=C2C(=O)O)N3CCCC3CO)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=CN=C2C(=O)O)N3CCCC3CO)Cl

InChI

InChI=1S/C18H21ClN4O4/c1-27-14-5-4-11(7-13(14)19)8-21-17-16(18(25)26)20-9-15(22-17)23-6-2-3-12(23)10-24/h4-5,7,9,12,24H,2-3,6,8,10H2,1H3,(H,21,22)(H,25,26)