tert-butyl N-(3-isocyanophenyl)-N-[[4-(2-methylphenyl)phenyl]carbamoyl-propyl-amino]carbamate

Systemtic Name: tert-butyl N-(3-isocyanophenyl)-N-[[4-(2-methylphenyl)phenyl]carbamoyl-propyl-amino]carbamate Openeye Name: tert-butyl N-(3-isocyanophenyl)-N-[[4-(o-tolyl)phenyl]carbamoyl-propyl-amino]carbamate CAS Name: N-(3-isocyanophenyl)-N-[[[4-(2-methylphenyl)anilino]-oxomethyl]-propylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-isocyanophenyl)-N-[[4-(2-methylphenyl)phenyl]carbamoyl-propylamino]carbamate Traditional Name: N-(3-isocyanophenyl)-N-[[4-(o-tolyl)phenyl]carbamoyl-propyl-amino]carbamic acid tert-butyl ester Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2C)N(C3=CC=CC(=C3)[N+]#[C-])C(=O)OC(C)(C)C

Isomeric SMILES

CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2C)N(C3=CC=CC(=C3)[N+]#[C-])C(=O)OC(C)(C)C

InChI

InChI=1S/C29H32N4O3/c1-7-19-32(33(28(35)36-29(3,4)5)25-13-10-12-24(20-25)30-6)27(34)31-23-17-15-22(16-18-23)26-14-9-8-11-21(26)2/h8-18,20H,7,19H2,1-5H3,(H,31,34)