O1-tert-butyl O3-phenyl 2-[(7-cyanonaphthalen-2-yl)methyl]-2-pyrrolidin-3-yloxy-propanedioate

Systemtic Name: O1-tert-butyl O3-phenyl 2-[(7-cyanonaphthalen-2-yl)methyl]-2-pyrrolidin-3-yloxy-propanedioate Openeye Name: O1-tert-butyl O3-phenyl 2-[(7-cyano-2-naphthyl)methyl]-2-pyrrolidin-3-yloxy-propanedioate CAS Name: 2-[(7-cyano-2-naphthalenyl)methyl]-2-(3-pyrrolidinyloxy)propanedioic acid O1-tert-butyl ester O3-phenyl ester IUPAC Name: 1-O-tert-butyl 3-O-phenyl 2-[(7-cyanonaphthalen-2-yl)methyl]-2-pyrrolidin-3-yloxypropanedioate Traditional Name: 2-[(7-cyano-2-naphthyl)methyl]-2-pyrrolidin-3-yloxy-malonic acid O1-tert-butyl ester O3-phenyl ester Formula: C29H30N2O5 MolecularWeight: 486.5589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C#N)(C(=O)OC3=CC=CC=C3)OC4CCNC4

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC2=C(C=C1)C=CC(=C2)C#N)(C(=O)OC3=CC=CC=C3)OC4CCNC4

InChI

InChI=1S/C29H30N2O5/c1-28(2,3)36-27(33)29(35-25-13-14-31-19-25,26(32)34-24-7-5-4-6-8-24)17-20-9-11-22-12-10-21(18-30)16-23(22)15-20/h4-12,15-16,25,31H,13-14,17,19H2,1-3H3