[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(6-methoxy-2-naphthyl)prop-2-enoate CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate Traditional Name: (E)-3-(6-methoxy-2-naphthyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO4/c1-30-23-6-5-21-11-17(2-4-22(21)12-23)3-7-25(29)31-16-24(28)27-26-13-18-8-19(14-26)10-20(9-18)15-26/h2-7,11-12,18-20H,8-10,13-16H2,1H3,(H,27,28)/b7-3+