(E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxo-propyl)-2-methyl-indol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[3-(1-imidazolylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methyl-4-indolyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methylindol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-keto-3-methoxy-propyl)-2-methyl-indol-4-yl]acrylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)C=CC(=O)O)CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CCC(=O)OC)/C=C/C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C20H21N3O4/c1-14-16(12-22-11-9-21-13-22)20-15(6-7-18(24)25)4-3-5-17(20)23(14)10-8-19(26)27-2/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,24,25)/b7-6+