tert-butyl N-[[3-[2-azanyl-5-(3-phenylpropoxy)phenyl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[2-azanyl-5-(3-phenylpropoxy)phenyl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[2-amino-5-(3-phenylpropoxy)benzoyl]phenyl]methyl]carbamate CAS Name: N-[[3-[[2-amino-5-(3-phenylpropoxy)phenyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[2-amino-5-(3-phenylpropoxy)benzoyl]phenyl]methyl]carbamate Traditional Name: N-[3-[2-amino-5-(3-phenylpropoxy)benzoyl]benzyl]carbamic acid tert-butyl ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=O)C2=C(C=CC(=C2)OCCCC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C(=O)C2=C(C=CC(=C2)OCCCC3=CC=CC=C3)N

InChI

InChI=1S/C28H32N2O4/c1-28(2,3)34-27(32)30-19-21-11-7-13-22(17-21)26(31)24-18-23(14-15-25(24)29)33-16-8-12-20-9-5-4-6-10-20/h4-7,9-11,13-15,17-18H,8,12,16,19,29H2,1-3H3,(H,30,32)