[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C=CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)/C=C/C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H30N2O3/c1-17(26-13-18-10-19(14-26)12-20(11-18)15-26)27-24(29)16-31-25(30)9-8-22-7-6-21-4-2-3-5-23(21)28-22/h2-9,17-20H,10-16H2,1H3,(H,27,29)/b9-8+/t17-,18?,19?,20?,26?/m1/s1