propyl 2-[[2-[(4-butoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: propyl 2-[[2-[(4-butoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: propyl 2-[[2-[(4-butoxybenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid propyl ester IUPAC Name: propyl 2-[[2-[(4-butoxybenzoyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(4-butoxybenzoyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid propyl ester Formula: C28H38N2O5 MolecularWeight: 482.61172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OCCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)OCCC

InChI

InChI=1S/C28H38N2O5/c1-5-7-18-34-23-15-13-22(14-16-23)26(31)30-25(20(3)4)27(32)29-24(28(33)35-17-6-2)19-21-11-9-8-10-12-21/h8-16,20,24-25H,5-7,17-19H2,1-4H3,(H,29,32)(H,30,31)