(phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methylphenyl)carbonyl-imidazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methylphenyl)carbonyl-imidazolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate CAS Name: 2-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-[(3-methylphenyl)-oxomethyl]-1-imidazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate Traditional Name: 2-[[3-(aminomethyl)benzyl]carbamoyl]-3-m-toluoyl-imidazolidine-1-carboxylic acid benzyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O4/c1-20-7-5-12-24(15-20)27(34)31-13-14-32(28(35)36-19-21-8-3-2-4-9-21)26(31)25(33)30-18-23-11-6-10-22(16-23)17-29/h2-12,15-16,26H,13-14,17-19,29H2,1H3,(H,30,33)