1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(E)-4-oxidanylidene-4-(propylamino)but-1-enyl]-4-propyl-benzoate

Systemtic Name: 1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(E)-4-oxidanylidene-4-(propylamino)but-1-enyl]-4-propyl-benzoate Openeye Name: 1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(E)-4-oxo-4-(propylamino)but-1-enyl]-4-propyl-benzoate CAS Name: 3-methoxy-2-methyl-5-[(E)-4-oxo-4-(propylamino)but-1-enyl]-4-propylbenzoic acid 1H-indol-3-ylmethyl ester IUPAC Name: 1H-indol-3-ylmethyl 3-methoxy-2-methyl-5-[(E)-4-oxo-4-(propylamino)but-1-enyl]-4-propylbenzoate Traditional Name: 5-[(E)-4-keto-4-(propylamino)but-1-enyl]-3-methoxy-2-methyl-4-propyl-benzoic acid 1H-indol-3-ylmethyl ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1C=CCC(=O)NCCC)C(=O)OCC2=CNC3=CC=CC=C32)C)OC

Isomeric SMILES

CCCC1=C(C(=C(C=C1/C=C/CC(=O)NCCC)C(=O)OCC2=CNC3=CC=CC=C32)C)OC

InChI

InChI=1S/C28H34N2O4/c1-5-10-23-20(11-9-14-26(31)29-15-6-2)16-24(19(3)27(23)33-4)28(32)34-18-21-17-30-25-13-8-7-12-22(21)25/h7-9,11-13,16-17,30H,5-6,10,14-15,18H2,1-4H3,(H,29,31)/b11-9+