1-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]indole-2-carboxylate

Systemtic Name: 1-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]indole-2-carboxylate Openeye Name: 1-[[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl]indole-2-carboxylate CAS Name: 1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]-2-indolecarboxylate IUPAC Name: 1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]indole-2-carboxylate Traditional Name: 1-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]benzyl]indole-2-carboxylate Formula: C21H18NO4- MolecularWeight: 348.37192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C(=O)[O-]

InChI

InChI=1S/C21H19NO4/c1-2-26-20(23)12-11-15-7-9-16(10-8-15)14-22-18-6-4-3-5-17(18)13-19(22)21(24)25/h3-13H,2,14H2,1H3,(H,24,25)/p-1/b12-11+