methyl 7-(dibutylamino)-2-(phenylmethyl)imino-chromene-3-carboxylate

Systemtic Name: methyl 7-(dibutylamino)-2-(phenylmethyl)imino-chromene-3-carboxylate Openeye Name: methyl 2-benzylimino-7-(dibutylamino)chromene-3-carboxylate CAS Name: 7-(dibutylamino)-2-(phenylmethyl)imino-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylimino-7-(dibutylamino)chromene-3-carboxylate Traditional Name: 2-benzylimino-7-(dibutylamino)chromene-3-carboxylic acid methyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C(=NCC3=CC=CC=C3)O2)C(=O)OC

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C(=NCC3=CC=CC=C3)O2)C(=O)OC

InChI

InChI=1S/C26H32N2O3/c1-4-6-15-28(16-7-5-2)22-14-13-21-17-23(26(29)30-3)25(31-24(21)18-22)27-19-20-11-9-8-10-12-20/h8-14,17-18H,4-7,15-16,19H2,1-3H3