(2S)-2-[(3S)-4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrol-3-yl]propanoic acid

Systemtic Name: (2S)-2-[(3S)-4-ethoxycarbonyl-5-methyl-2-oxidanylidene-1-(phenylmethyl)-3H-pyrrol-3-yl]propanoic acid Openeye Name: (2S)-2-[(3S)-1-benzyl-4-ethoxycarbonyl-5-methyl-2-oxo-3H-pyrrol-3-yl]propanoic acid CAS Name: (2S)-2-[(3S)-4-ethoxycarbonyl-5-methyl-2-oxo-1-(phenylmethyl)-3H-pyrrol-3-yl]propanoic acid IUPAC Name: (2S)-2-[(3S)-1-benzyl-4-ethoxycarbonyl-5-methyl-2-oxo-3H-pyrrol-3-yl]propanoic acid Traditional Name: (2S)-2-[(3S)-1-benzyl-4-carbethoxy-2-keto-5-methyl-2-pyrrolin-3-yl]propionic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1C(C)C(=O)O)CC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)[C@H]1[C@H](C)C(=O)O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H21NO5/c1-4-24-18(23)15-12(3)19(10-13-8-6-5-7-9-13)16(20)14(15)11(2)17(21)22/h5-9,11,14H,4,10H2,1-3H3,(H,21,22)/t11-,14-/m0/s1