(3S)-3-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: (3S)-3-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: (3S)-3-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: (3S)-3-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: (3S)-3-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: (3S)-3-(1H-benzimidazol-2-yl)-3-(3,4-dimethoxyphenyl)propionic acid Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)O)C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C18H18N2O4/c1-23-15-8-7-11(9-16(15)24-2)12(10-17(21)22)18-19-13-5-3-4-6-14(13)20-18/h3-9,12H,10H2,1-2H3,(H,19,20)(H,21,22)/t12-/m0/s1