(phenylmethyl) 4-[2,6-bis(azanyl)hexanoyl-(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 4-[2,6-bis(azanyl)hexanoyl-(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]benzoate Openeye Name: benzyl 4-[2,6-diaminohexanoyl-(2-ethoxy-1-methyl-2-oxo-ethyl)carbamoyl]benzoate CAS Name: 4-[[(2,6-diamino-1-oxohexyl)-(1-ethoxy-1-oxopropan-2-yl)amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2,6-diaminohexanoyl-(1-ethoxy-1-oxopropan-2-yl)carbamoyl]benzoate Traditional Name: 4-[2,6-diaminohexanoyl-(2-ethoxy-2-keto-1-methyl-ethyl)carbamoyl]benzoic acid benzyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(C(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CCCCN)N

Isomeric SMILES

CCOC(=O)C(C)N(C(=O)C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CCCCN)N

InChI

InChI=1S/C26H33N3O6/c1-3-34-25(32)18(2)29(24(31)22(28)11-7-8-16-27)23(30)20-12-14-21(15-13-20)26(33)35-17-19-9-5-4-6-10-19/h4-6,9-10,12-15,18,22H,3,7-8,11,16-17,27-28H2,1-2H3