(E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)but-3-enoic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H22N2O3/c1-12(2)22-13(3)9-15(14(22)4)10-16(11-19(23)24)20-21-17-7-5-6-8-18(17)25-20/h5-10,12H,11H2,1-4H3,(H,23,24)/b16-10+