methyl 4-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-3-[methyl(phenethyl)amino]piperidine-1-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-3-[methyl(phenethyl)amino]-1-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-[methyl(phenethyl)amino]piperidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-3-[methyl(phenethyl)amino]piperidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H29N3O3/c1-25(16-14-18-7-4-3-5-8-18)21-9-6-15-26(17-21)23(28)24-20-12-10-19(11-13-20)22(27)29-2/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3,(H,24,28)/t21-/m0/s1