4-[2-[1-(3,5-dimethylphenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine-1-carboxylate

Systemtic Name: 4-[2-[1-(3,5-dimethylphenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine-1-carboxylate Openeye Name: 4-[2-[1-(3,5-dimethylphenyl)ethoxymethyl]indan-2-yl]piperazine-1-carboxylate CAS Name: 4-[2-[1-(3,5-dimethylphenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]-1-piperazinecarboxylate IUPAC Name: 4-[2-[1-(3,5-dimethylphenyl)ethoxymethyl]-1,3-dihydroinden-2-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[1-(3,5-dimethylphenyl)ethoxymethyl]indan-2-yl]piperazine-1-carboxylate Formula: C25H31N2O3- MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C)OCC2(CC3=CC=CC=C3C2)N4CCN(CC4)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C)OCC2(CC3=CC=CC=C3C2)N4CCN(CC4)C(=O)[O-])C

InChI

InChI=1S/C25H32N2O3/c1-18-12-19(2)14-23(13-18)20(3)30-17-25(15-21-6-4-5-7-22(21)16-25)27-10-8-26(9-11-27)24(28)29/h4-7,12-14,20H,8-11,15-17H2,1-3H3,(H,28,29)/p-1