methyl (2S,3S)-2-[[1-(6-methoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]amino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[1-(6-methoxy-4-methyl-quinazolin-2-yl)piperidin-4-yl]amino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[1-(6-methoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[1-(6-methoxy-4-methyl-2-quinazolinyl)-4-piperidinyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[1-(6-methoxy-4-methylquinazolin-2-yl)piperidin-4-yl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-(6-methoxy-4-methyl-quinazolin-2-yl)-4-piperidyl]amino]-3-methyl-valeric acid methyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC1CCN(CC1)C2=NC3=C(C=C(C=C3)OC)C(=N2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC1CCN(CC1)C2=NC3=C(C=C(C=C3)OC)C(=N2)C

InChI

InChI=1S/C22H32N4O3/c1-6-14(2)20(21(27)29-5)24-16-9-11-26(12-10-16)22-23-15(3)18-13-17(28-4)7-8-19(18)25-22/h7-8,13-14,16,20,24H,6,9-12H2,1-5H3/t14-,20-/m0/s1