methyl 2-[2-(hydroxymethyl)-2-(3-methoxyphenyl)carbonyl-4-phenylmethoxy-3-(prop-2-enoxycarbonylamino)-3H-pyrrol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-(hydroxymethyl)-2-(3-methoxyphenyl)carbonyl-4-phenylmethoxy-3-(prop-2-enoxycarbonylamino)-3H-pyrrol-4-yl]ethanoate Openeye Name: methyl 2-[3-(allyloxycarbonylamino)-4-benzyloxy-2-(hydroxymethyl)-2-(3-methoxybenzoyl)-3H-pyrrol-4-yl]acetate CAS Name: 2-[2-(hydroxymethyl)-2-[(3-methoxyphenyl)-oxomethyl]-3-[[oxo(prop-2-enoxy)methyl]amino]-4-phenylmethoxy-3H-pyrrol-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(hydroxymethyl)-2-(3-methoxybenzoyl)-4-phenylmethoxy-3-(prop-2-enoxycarbonylamino)-3H-pyrrol-4-yl]acetate Traditional Name: 2-[4-(allyloxycarbonylamino)-3-benzoxy-5-m-anisoyl-5-methylol-1-pyrrolin-3-yl]acetic acid methyl ester Formula: C27H30N2O8 MolecularWeight: 510.5357

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2(C(C(C=N2)(CC(=O)OC)OCC3=CC=CC=C3)NC(=O)OCC=C)CO

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2(C(C(C=N2)(CC(=O)OC)OCC3=CC=CC=C3)NC(=O)OCC=C)CO

InChI

InChI=1S/C27H30N2O8/c1-4-13-36-25(33)29-24-26(15-22(31)35-3,37-16-19-9-6-5-7-10-19)17-28-27(24,18-30)23(32)20-11-8-12-21(14-20)34-2/h4-12,14,17,24,30H,1,13,15-16,18H2,2-3H3,(H,29,33)