[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)OC

InChI

InChI=1S/C26H28N2O5/c1-18(2)11-14-32-24-10-9-19(15-25(24)31-3)26(30)33-17-23(29)21-16-28(13-6-12-27)22-8-5-4-7-20(21)22/h4-5,7-10,15-16,18H,6,11,13-14,17H2,1-3H3