[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC(C)C12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N[C@H](C)C12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

InChI

InChI=1S/C23H31NO4/c1-15(28-20-6-4-3-5-7-20)22(26)27-14-21(25)24-16(2)23-11-17-8-18(12-23)10-19(9-17)13-23/h3-7,15-19H,8-14H2,1-2H3,(H,24,25)/t15-,16-,17?,18?,19?,23?/m1/s1