methyl (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-4-methyl-valeric acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)NCC1(CCOCC1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)NCC1(CCOCC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H32N2O5/c1-15(2)13-18(19(24)27-4)23-20(25)22-14-21(9-11-28-12-10-21)16-5-7-17(26-3)8-6-16/h5-8,15,18H,9-14H2,1-4H3,(H2,22,23,25)/t18-/m0/s1