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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)NC4=CC=C(C=C4)C#N)OC(=O)O

Isomeric SMILES

CC(=O)N1CCC(C1(C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)NC4=CC=C(C=C4)C#N)OC(=O)O

InChI

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