[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)OCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3/c1-13-4-3-5-18(20(13)23)21(26)27-12-19(25)24-14(2)22-9-15-6-16(10-22)8-17(7-15)11-22/h3-5,14-17H,6-12,23H2,1-2H3,(H,24,25)/t14-,15?,16?,17?,22?/m1/s1