[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31NO4/c1-16(20-3-4-22-11-23(30-2)6-5-21(22)10-20)25(29)31-15-24(28)27-26-12-17-7-18(13-26)9-19(8-17)14-26/h3-6,10-11,16-19H,7-9,12-15H2,1-2H3,(H,27,28)/t16-,17?,18?,19?,26?/m0/s1