tert-butyl 6-[4-(1-propan-2-yloxycarbonylpiperidin-4-yl)butylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[4-(1-propan-2-yloxycarbonylpiperidin-4-yl)butylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-[4-(1-isopropoxycarbonyl-4-piperidyl)butylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-[4-[1-[oxo(propan-2-yloxy)methyl]-4-piperidinyl]butylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4-(1-propan-2-yloxycarbonylpiperidin-4-yl)butylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-[4-(1-isopropoxycarbonyl-4-piperidyl)butylamino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H43N3O4 MolecularWeight: 473.64802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)CCCCNC2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)CCCCNC2=CC3=C(CN(CC3)C(=O)OC(C)(C)C)C=C2

InChI

InChI=1S/C27H43N3O4/c1-20(2)33-25(31)29-15-11-21(12-16-29)8-6-7-14-28-24-10-9-23-19-30(17-13-22(23)18-24)26(32)34-27(3,4)5/h9-10,18,20-21,28H,6-8,11-17,19H2,1-5H3