[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C(C)C1=CC2=C(C=C1)C=C(C=C2)OC

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C21H27NO4/c1-14(2)9-10-22-20(23)13-26-21(24)15(3)16-5-6-18-12-19(25-4)8-7-17(18)11-16/h5-8,11-12,14-15H,9-10,13H2,1-4H3,(H,22,23)/t15-/m0/s1