methyl 4-[5-azanyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-phenoxy]butanoate

Systemtic Name: methyl 4-[5-azanyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-phenoxy]butanoate Openeye Name: methyl 4-[5-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-phenoxy]butanoate CAS Name: 4-[5-amino-4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxyphenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[5-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxyphenoxy]butanoate Traditional Name: 4-[5-amino-2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]phenoxy]butyric acid methyl ester Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)N)OCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2CO)N)OCCCC(=O)OC

InChI

InChI=1S/C18H26N2O6/c1-24-15-9-13(18(23)20-7-3-5-12(20)11-21)14(19)10-16(15)26-8-4-6-17(22)25-2/h9-10,12,21H,3-8,11,19H2,1-2H3/t12-/m0/s1