(2S)-2-azanyl-4-[(2,4-dimethoxyphenyl)methylamino]-1-piperidin-1-yl-butan-1-one

Systemtic Name: (2S)-2-azanyl-4-[(2,4-dimethoxyphenyl)methylamino]-1-piperidin-1-yl-butan-1-one Openeye Name: (2S)-2-amino-4-[(2,4-dimethoxyphenyl)methylamino]-1-(1-piperidyl)butan-1-one CAS Name: (2S)-2-amino-4-[(2,4-dimethoxyphenyl)methylamino]-1-(1-piperidinyl)-1-butanone IUPAC Name: (2S)-2-amino-4-[(2,4-dimethoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one Traditional Name: (2S)-2-amino-4-[(2,4-dimethoxybenzyl)amino]-1-piperidino-butan-1-one Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCCC(C(=O)N2CCCCC2)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNCC[C@@H](C(=O)N2CCCCC2)N)OC

InChI

InChI=1S/C18H29N3O3/c1-23-15-7-6-14(17(12-15)24-2)13-20-9-8-16(19)18(22)21-10-4-3-5-11-21/h6-7,12,16,20H,3-5,8-11,13,19H2,1-2H3/t16-/m0/s1