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

Systemtic Name: phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methoxyphenyl)carbonyl-imidazolidine-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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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)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C2C(=O)NCC3=CC=CC(=C3)CN)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5/c1-35-23-12-6-9-21(16-23)26(33)30-13-14-31(27(34)36-22-10-3-2-4-11-22)25(30)24(32)29-18-20-8-5-7-19(15-20)17-28/h2-12,15-16,25H,13-14,17-18,28H2,1H3,(H,29,32)