ethyl 4-[(4-methylphenyl)-(1-oxidanyl-2-phenyl-indol-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)-(1-oxidanyl-2-phenyl-indol-3-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1-hydroxy-2-phenyl-indol-3-yl)-(p-tolyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(1-hydroxy-2-phenyl-3-indolyl)-(4-methylphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-hydroxy-2-phenylindol-3-yl)-(4-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(1-hydroxy-2-phenyl-indol-3-yl)-(p-tolyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(N(C4=CC=CC=C43)O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=C(C=C2)C)C3=C(N(C4=CC=CC=C43)O)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c1-3-35-29(33)31-19-17-30(18-20-31)27(23-15-13-21(2)14-16-23)26-24-11-7-8-12-25(24)32(34)28(26)22-9-5-4-6-10-22/h4-16,27,34H,3,17-20H2,1-2H3