(phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-methylphenyl)carbonyl-imidazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-methylphenyl)carbonyl-imidazolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-methylbenzoyl)imidazolidine-1-carboxylate CAS Name: 2-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-[(4-methylphenyl)-oxomethyl]-1-imidazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-methylbenzoyl)imidazolidine-1-carboxylate Traditional Name: 2-[[3-(aminomethyl)benzyl]carbamoyl]-3-p-toluoyl-imidazolidine-1-carboxylic acid benzyl ester Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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