(phenylmethyl) 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-1H-indole-3-carboxylate Openeye Name: benzyl 5-[2-(4-tert-butoxycarbonylpiperazin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylate CAS Name: 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]ethoxy]-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]-1H-indole-3-carboxylate Traditional Name: 5-[2-(4-tert-butoxycarbonylpiperazino)ethoxy]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)OCCN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O5/c1-20-25(26(32)35-19-21-8-6-5-7-9-21)23-18-22(10-11-24(23)29-20)34-17-16-30-12-14-31(15-13-30)27(33)36-28(2,3)4/h5-11,18,29H,12-17,19H2,1-4H3