(E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-5-yl]prop-2-enoate

Systemtic Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxidanylidene-propyl)-2-methyl-indol-5-yl]prop-2-enoate Openeye Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxo-propyl)-2-methyl-indol-5-yl]prop-2-enoate CAS Name: (E)-3-[3-(1-imidazolylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methyl-5-indolyl]-2-propenoate IUPAC Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-methoxy-3-oxopropyl)-2-methylindol-5-yl]prop-2-enoate Traditional Name: (E)-3-[3-(imidazol-1-ylmethyl)-1-(3-keto-3-methoxy-propyl)-2-methyl-indol-5-yl]acrylate Formula: C20H20N3O4- MolecularWeight: 366.3905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)C=CC(=O)[O-])CN3C=CN=C3

Isomeric SMILES

CC1=C(C2=C(N1CCC(=O)OC)C=CC(=C2)/C=C/C(=O)[O-])CN3C=CN=C3

InChI

InChI=1S/C20H21N3O4/c1-14-17(12-22-10-8-21-13-22)16-11-15(4-6-19(24)25)3-5-18(16)23(14)9-7-20(26)27-2/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,24,25)/p-1/b6-4+