methyl 4-[[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]amino]benzoate

Systemtic Name: methyl 4-[[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]amino]benzoate Openeye Name: methyl 4-[(1-isopentyl-2-oxo-indolin-3-ylidene)amino]benzoate CAS Name: 4-[[1-(3-methylbutyl)-2-oxo-3-indolylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]benzoate Traditional Name: 4-[(1-isoamyl-2-keto-indolin-3-ylidene)amino]benzoic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=NC3=CC=C(C=C3)C(=O)OC)C1=O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2C(=NC3=CC=C(C=C3)C(=O)OC)C1=O

InChI

InChI=1S/C21H22N2O3/c1-14(2)12-13-23-18-7-5-4-6-17(18)19(20(23)24)22-16-10-8-15(9-11-16)21(25)26-3/h4-11,14H,12-13H2,1-3H3