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

Systemtic Name: methyl 4-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl-2-methoxy-5-(prop-2-enoxycarbonylamino)phenoxy]butanoate Openeye Name: methyl 4-[5-(allyloxycarbonylamino)-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-phenoxy]butanoate CAS Name: 4-[4-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-oxomethyl]-2-methoxy-5-[[oxo(prop-2-enoxy)methyl]amino]phenoxy]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxy-5-(prop-2-enoxycarbonylamino)phenoxy]butanoate Traditional Name: 4-[5-(allyloxycarbonylamino)-2-methoxy-4-[(2S)-2-methylolpyrrolidine-1-carbonyl]phenoxy]butyric acid methyl ester Formula: C22H30N2O8 MolecularWeight: 450.4822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCCC2CO)NC(=O)OCC=C)OCCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O8/c1-4-10-32-22(28)23-17-13-19(31-11-6-8-20(26)30-3)18(29-2)12-16(17)21(27)24-9-5-7-15(24)14-25/h4,12-13,15,25H,1,5-11,14H2,2-3H3,(H,23,28)/t15-/m0/s1