methyl 3-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]benzoate CAS Name: 3-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]benzoate Traditional Name: 3-[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O5/c1-27-22(26)16-5-2-4-15(12-16)21(25)24-9-3-6-18(14-24)23-17-7-8-19-20(13-17)29-11-10-28-19/h2,4-5,7-8,12-13,18,23H,3,6,9-11,14H2,1H3/t18-/m0/s1