[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)OC(=O)C=CC3=CC(=C(C=C3)O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)OC(=O)/C=C/C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H21NO5/c1-13-21(16-6-4-5-7-17(16)23-13)22(26)14(2)28-20(25)11-9-15-8-10-18(24)19(12-15)27-3/h4-12,14,23-24H,1-3H3/b11-9+/t14-/m0/s1