methyl 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[[4-(1-oxohexylamino)-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(hexanoylamino)indol-1-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[4-(caproylamino)indol-1-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC2=C1C=CN2CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC2=C1C=CN2CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C24H28N2O4/c1-4-5-6-10-23(27)25-20-8-7-9-21-19(20)13-14-26(21)16-18-12-11-17(24(28)30-3)15-22(18)29-2/h7-9,11-15H,4-6,10,16H2,1-3H3,(H,25,27)