tert-butyl 2-[3-chloranyl-2-(2-naphthalen-1-ylethyl)phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate

Systemtic Name: tert-butyl 2-[3-chloranyl-2-(2-naphthalen-1-ylethyl)phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate Openeye Name: tert-butyl 2-[3-chloro-2-[2-(1-naphthyl)ethyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate CAS Name: 2-[3-chloro-2-[2-(1-naphthalenyl)ethyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylate Traditional Name: 2-[3-chloro-2-[2-(1-naphthyl)ethyl]phenyl]-5,6-dihydro-4H-pyrimidine-1-carboxylic acid tert-butyl ester Formula: C27H29ClN2O2 MolecularWeight: 448.98436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN=C1C2=C(C(=CC=C2)Cl)CCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN=C1C2=C(C(=CC=C2)Cl)CCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C27H29ClN2O2/c1-27(2,3)32-26(31)30-18-8-17-29-25(30)23-13-7-14-24(28)22(23)16-15-20-11-6-10-19-9-4-5-12-21(19)20/h4-7,9-14H,8,15-18H2,1-3H3