methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoate Openeye Name: methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[1-[5-(1-oxohexylamino)-1H-indol-3-yl]but-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[5-(hexanoylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxybenzoate Traditional Name: 4-[1-[5-(caproylamino)-1H-indol-3-yl]but-3-enyl]-3-methoxy-benzoic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)NC=C2C(CC=C)C3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)NC=C2C(CC=C)C3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C27H32N2O4/c1-5-7-8-10-26(30)29-19-12-14-24-22(16-19)23(17-28-24)20(9-6-2)21-13-11-18(27(31)33-4)15-25(21)32-3/h6,11-17,20,28H,2,5,7-10H2,1,3-4H3,(H,29,30)