tert-butyl 3-[4-ethoxycarbonyl-1-(phenylmethyl)pyrrolidin-3-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[4-ethoxycarbonyl-1-(phenylmethyl)pyrrolidin-3-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-(1-benzyl-4-ethoxycarbonyl-pyrrolidin-3-yl)indole-1-carboxylate CAS Name: 3-[4-ethoxycarbonyl-1-(phenylmethyl)-3-pyrrolidinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1-benzyl-4-ethoxycarbonylpyrrolidin-3-yl)indole-1-carboxylate Traditional Name: 3-(1-benzyl-4-carbethoxy-pyrrolidin-3-yl)indole-1-carboxylic acid tert-butyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(CC1C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CN(CC1C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O4/c1-5-32-25(30)23-17-28(15-19-11-7-6-8-12-19)16-21(23)22-18-29(26(31)33-27(2,3)4)24-14-10-9-13-20(22)24/h6-14,18,21,23H,5,15-17H2,1-4H3