2-[[(3-butoxy-3-oxidanylidene-propyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[(3-butoxy-3-oxidanylidene-propyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[(3-butoxy-3-oxo-propyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[(3-butoxy-3-oxopropyl)-(2-methylpropyl)amino]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[(3-butoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[(3-butoxy-3-keto-propyl)-isobutyl-carbamoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCN(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCOC(=O)CCN(CC(C)C)C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H36N2O5/c1-4-5-17-34-25(30)15-16-29(19-20(2)3)27(33)28-24(26(31)32)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h6-14,20,24H,4-5,15-19H2,1-3H3,(H,28,33)(H,31,32)