[4-[5-acetyloxy-1-[(4-cyanophenyl)methyl]-3-methyl-indol-2-yl]phenyl] ethanoate

Systemtic Name: [4-[5-acetyloxy-1-[(4-cyanophenyl)methyl]-3-methyl-indol-2-yl]phenyl] ethanoate Openeye Name: [4-[5-acetoxy-1-[(4-cyanophenyl)methyl]-3-methyl-indol-2-yl]phenyl] acetate CAS Name: acetic acid [4-[5-acetyloxy-1-[(4-cyanophenyl)methyl]-3-methyl-2-indolyl]phenyl] ester IUPAC Name: [4-[5-acetyloxy-1-[(4-cyanophenyl)methyl]-3-methylindol-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[5-acetoxy-1-(4-cyanobenzyl)-3-methyl-indol-2-yl]phenyl] ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC(=O)C)CC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC(=O)C)CC3=CC=C(C=C3)C#N)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C27H22N2O4/c1-17-25-14-24(33-19(3)31)12-13-26(25)29(16-21-6-4-20(15-28)5-7-21)27(17)22-8-10-23(11-9-22)32-18(2)30/h4-14H,16H2,1-3H3