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

Systemtic Name: phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-methylphenyl)carbonyl-imidazolidine-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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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)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O4/c1-19-10-12-22(13-11-19)26(33)30-14-15-31(27(34)35-23-8-3-2-4-9-23)25(30)24(32)29-18-21-7-5-6-20(16-21)17-28/h2-13,16,25H,14-15,17-18,28H2,1H3,(H,29,32)