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

Systemtic Name: methyl 3-[(3-chloranyl-4-methoxy-phenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate Openeye Name: methyl 3-[(3-chloro-4-methoxy-phenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate CAS Name: 3-[(3-chloro-4-methoxyphenyl)methylamino]-5-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-methoxyphenyl)methylamino]-5-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate Traditional Name: 3-[(3-chloro-4-methoxy-benzyl)amino]-5-(2-methylolpyrrolidino)pyrazinic acid methyl ester Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O4/c1-27-15-6-5-12(8-14(15)20)9-22-18-17(19(26)28-2)21-10-16(23-18)24-7-3-4-13(24)11-25/h5-6,8,10,13,25H,3-4,7,9,11H2,1-2H3,(H,22,23)