methyl (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propanoate Openeye Name: methyl (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propanoate CAS Name: (2S)-2-acetamido-3-[4-(1-pyrrolyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(4-pyrrol-1-ylphenyl)propionic acid methyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)N2C=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=C(C=C1)N2C=CC=C2)C(=O)OC

InChI

InChI=1S/C16H18N2O3/c1-12(19)17-15(16(20)21-2)11-13-5-7-14(8-6-13)18-9-3-4-10-18/h3-10,15H,11H2,1-2H3,(H,17,19)/t15-/m0/s1