4-[[5-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-methoxy-benzoate

Systemtic Name: 4-[[5-azanyl-1-(2-methoxy-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: 4-[[5-amino-1-(2-methoxy-2-oxo-ethyl)indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[5-amino-1-(2-methoxy-2-oxoethyl)-3-indolyl]methyl]-3-methoxybenzoate IUPAC Name: 4-[[5-amino-1-(2-methoxy-2-oxoethyl)indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-amino-1-(2-keto-2-methoxy-ethyl)indol-3-yl]methyl]-3-methoxy-benzoate Formula: C20H19N2O5- MolecularWeight: 367.37526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])CC2=CN(C3=C2C=C(C=C3)N)CC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])CC2=CN(C3=C2C=C(C=C3)N)CC(=O)OC

InChI

InChI=1S/C20H20N2O5/c1-26-18-8-13(20(24)25)4-3-12(18)7-14-10-22(11-19(23)27-2)17-6-5-15(21)9-16(14)17/h3-6,8-10H,7,11,21H2,1-2H3,(H,24,25)/p-1