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

Systemtic Name: (phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methoxyphenyl)carbonyl-imidazolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methoxybenzoyl)imidazolidine-1-carboxylate CAS Name: 2-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-[(3-methoxyphenyl)-oxomethyl]-1-imidazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methoxybenzoyl)imidazolidine-1-carboxylate Traditional Name: 2-[[3-(aminomethyl)benzyl]carbamoyl]-3-m-anisoyl-imidazolidine-1-carboxylic acid benzyl ester Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O5/c1-36-24-12-6-11-23(16-24)27(34)31-13-14-32(28(35)37-19-20-7-3-2-4-8-20)26(31)25(33)30-18-22-10-5-9-21(15-22)17-29/h2-12,15-16,26H,13-14,17-19,29H2,1H3,(H,30,33)