(2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylate IUPAC Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3S,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Formula: C19H18NO5- MolecularWeight: 340.34992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2[C@H]([C@H](CN2)C3=CC4=C(C=C3)OCO4)C(=O)[O-]

InChI

InChI=1S/C19H19NO5/c1-23-13-5-2-11(3-6-13)18-17(19(21)22)14(9-20-18)12-4-7-15-16(8-12)25-10-24-15/h2-8,14,17-18,20H,9-10H2,1H3,(H,21,22)/p-1/t14-,17+,18-/m1/s1