[2-[(4-cyanophenyl)amino]-1-ethanoyl-3-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidin-2-yl] hydrogen carbonate

Systemtic Name: [2-[(4-cyanophenyl)amino]-1-ethanoyl-3-(3-methoxy-4-phenylmethoxy-phenyl)pyrrolidin-2-yl] hydrogen carbonate Openeye Name: [1-acetyl-3-(4-benzyloxy-3-methoxy-phenyl)-2-(4-cyanoanilino)pyrrolidin-2-yl] hydrogen carbonate CAS Name: carbonic acid [1-acetyl-2-(4-cyanoanilino)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-pyrrolidinyl] ester IUPAC Name: [1-acetyl-2-(4-cyanoanilino)-3-(3-methoxy-4-phenylmethoxyphenyl)pyrrolidin-2-yl] hydrogen carbonate Traditional Name: carbonic acid [1-acetyl-3-(4-benzoxy-3-methoxy-phenyl)-2-(4-cyanoanilino)pyrrolidin-2-yl] ester Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1(NC2=CC=C(C=C2)C#N)OC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)N1CCC(C1(NC2=CC=C(C=C2)C#N)OC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H27N3O6/c1-19(32)31-15-14-24(28(31,37-27(33)34)30-23-11-8-20(17-29)9-12-23)22-10-13-25(26(16-22)35-2)36-18-21-6-4-3-5-7-21/h3-13,16,24,30H,14-15,18H2,1-2H3,(H,33,34)