[[3-methyl-2-[(Z)-N'-(phenylcarbonyloxy)carbamimidoyl]pentanoyl]amino] benzoate

Systemtic Name: [[3-methyl-2-[(Z)-N'-(phenylcarbonyloxy)carbamimidoyl]pentanoyl]amino] benzoate Openeye Name: [[2-[(Z)-N'-benzoyloxycarbamimidoyl]-3-methyl-pentanoyl]amino] benzoate CAS Name: benzoic acid [[2-[(Z)-amino(benzoyloxyimino)methyl]-3-methyl-1-oxopentyl]amino] ester IUPAC Name: [[2-[(Z)-N'-benzoyloxycarbamimidoyl]-3-methylpentanoyl]amino] benzoate Traditional Name: benzoic acid [[2-[(Z)-N'-benzoyloxyamidino]-3-methyl-pentanoyl]amino] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=NOC(=O)C1=CC=CC=C1)N)C(=O)NOC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C(/C(=N/OC(=O)C1=CC=CC=C1)/N)C(=O)NOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-3-14(2)17(18(22)23-28-20(26)15-10-6-4-7-11-15)19(25)24-29-21(27)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H2,22,23)(H,24,25)