tert-butyl N-[(4-acetamidophenyl)methyl-[cyclopentyl(methyl)carbamoyl]amino]carbamate

Systemtic Name: tert-butyl N-[(4-acetamidophenyl)methyl-[cyclopentyl(methyl)carbamoyl]amino]carbamate Openeye Name: tert-butyl N-[(4-acetamidophenyl)methyl-[cyclopentyl(methyl)carbamoyl]amino]carbamate CAS Name: N-[(4-acetamidophenyl)methyl-[[cyclopentyl(methyl)amino]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-acetamidophenyl)methyl-[cyclopentyl(methyl)carbamoyl]amino]carbamate Traditional Name: N-[(4-acetamidobenzyl)-[cyclopentyl(methyl)carbamoyl]amino]carbamic acid tert-butyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN(C(=O)N(C)C2CCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN(C(=O)N(C)C2CCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O4/c1-15(26)22-17-12-10-16(11-13-17)14-25(23-19(27)29-21(2,3)4)20(28)24(5)18-8-6-7-9-18/h10-13,18H,6-9,14H2,1-5H3,(H,22,26)(H,23,27)