methyl 3-[[2-hydroxyethyl(phenylmethoxycarbonyl)amino]methyl]-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-[[2-hydroxyethyl(phenylmethoxycarbonyl)amino]methyl]-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-[[benzyloxycarbonyl(2-hydroxyethyl)amino]methyl]-5-pyrrol-1-yl-benzoate CAS Name: 3-[[2-hydroxyethyl(phenylmethoxycarbonyl)amino]methyl]-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-hydroxyethyl(phenylmethoxycarbonyl)amino]methyl]-5-pyrrol-1-ylbenzoate Traditional Name: 3-[[carbobenzoxy(2-hydroxyethyl)amino]methyl]-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2C=CC=C2)CN(CCO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2C=CC=C2)CN(CCO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O5/c1-29-22(27)20-13-19(14-21(15-20)24-9-5-6-10-24)16-25(11-12-26)23(28)30-17-18-7-3-2-4-8-18/h2-10,13-15,26H,11-12,16-17H2,1H3