methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4/c1-15-12-19(16(2)24(15)14-18-10-7-11-28-18)22(26)23-20(13-21(25)27-3)17-8-5-4-6-9-17/h4-12,20H,13-14H2,1-3H3,(H,23,26)