1H-indol-3-ylmethyl 2-[(E)-7-(dimethylamino)-7-oxidanylidene-hept-4-en-3-yl]-3-methoxy-benzoate

Systemtic Name: 1H-indol-3-ylmethyl 2-[(E)-7-(dimethylamino)-7-oxidanylidene-hept-4-en-3-yl]-3-methoxy-benzoate Openeye Name: 1H-indol-3-ylmethyl 2-[(E)-5-(dimethylamino)-1-ethyl-5-oxo-pent-2-enyl]-3-methoxy-benzoate CAS Name: 2-[(E)-7-(dimethylamino)-7-oxohept-4-en-3-yl]-3-methoxybenzoic acid 1H-indol-3-ylmethyl ester IUPAC Name: 1H-indol-3-ylmethyl 2-[(E)-7-(dimethylamino)-7-oxohept-4-en-3-yl]-3-methoxybenzoate Traditional Name: 2-[(E)-5-(dimethylamino)-1-ethyl-5-keto-pent-2-enyl]-3-methoxy-benzoic acid 1H-indol-3-ylmethyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=CCC(=O)N(C)C)C1=C(C=CC=C1OC)C(=O)OCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC(/C=C/CC(=O)N(C)C)C1=C(C=CC=C1OC)C(=O)OCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C26H30N2O4/c1-5-18(10-8-15-24(29)28(2)3)25-21(12-9-14-23(25)31-4)26(30)32-17-19-16-27-22-13-7-6-11-20(19)22/h6-14,16,18,27H,5,15,17H2,1-4H3/b10-8+