3-[3-(3-methoxy-4-oxidanyl-phenyl)propylamino]-4-oxidanylidene-4-[(1-oxidanylidene-1-propoxy-propan-2-yl)amino]butanoic acid

Systemtic Name: 3-[3-(3-methoxy-4-oxidanyl-phenyl)propylamino]-4-oxidanylidene-4-[(1-oxidanylidene-1-propoxy-propan-2-yl)amino]butanoic acid Openeye Name: 3-[3-(4-hydroxy-3-methoxy-phenyl)propylamino]-4-[(1-methyl-2-oxo-2-propoxy-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[3-(4-hydroxy-3-methoxyphenyl)propylamino]-4-oxo-4-[(1-oxo-1-propoxypropan-2-yl)amino]butanoic acid IUPAC Name: 3-[3-(4-hydroxy-3-methoxyphenyl)propylamino]-4-oxo-4-[(1-oxo-1-propoxypropan-2-yl)amino]butanoic acid Traditional Name: 3-[3-(4-hydroxy-3-methoxy-phenyl)propylamino]-4-keto-4-[(2-keto-1-methyl-2-propoxy-ethyl)amino]butyric acid Formula: C20H30N2O7 MolecularWeight: 410.4614

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C)NC(=O)C(CC(=O)O)NCCCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCOC(=O)C(C)NC(=O)C(CC(=O)O)NCCCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C20H30N2O7/c1-4-10-29-20(27)13(2)22-19(26)15(12-18(24)25)21-9-5-6-14-7-8-16(23)17(11-14)28-3/h7-8,11,13,15,21,23H,4-6,9-10,12H2,1-3H3,(H,22,26)(H,24,25)