methyl 4-[[butyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[butyl-[(4-oxidanylidenechromen-3-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[butyl-[(4-oxochromen-3-yl)methyl]amino]methyl]benzoate CAS Name: 4-[[butyl-[(4-oxo-1-benzopyran-3-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[butyl-[(4-oxochromen-3-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[butyl-[(4-ketochromen-3-yl)methyl]amino]methyl]benzoic acid methyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C(=O)OC)CC2=COC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C(=O)OC)CC2=COC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H25NO4/c1-3-4-13-24(14-17-9-11-18(12-10-17)23(26)27-2)15-19-16-28-21-8-6-5-7-20(21)22(19)25/h5-12,16H,3-4,13-15H2,1-2H3