tert-butyl (3S)-3-[2-chloranyl-6-[(phenylmethyl)-propan-2-yl-amino]pyridin-3-yl]-3-(2,3-dihydro-1-benzofuran-6-yl)propanoate

Systemtic Name: tert-butyl (3S)-3-[2-chloranyl-6-[(phenylmethyl)-propan-2-yl-amino]pyridin-3-yl]-3-(2,3-dihydro-1-benzofuran-6-yl)propanoate Openeye Name: tert-butyl (3S)-3-[6-[benzyl(isopropyl)amino]-2-chloro-3-pyridyl]-3-(2,3-dihydrobenzofuran-6-yl)propanoate CAS Name: (3S)-3-[2-chloro-6-[(phenylmethyl)-propan-2-ylamino]-3-pyridinyl]-3-(2,3-dihydrobenzofuran-6-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[6-[benzyl(propan-2-yl)amino]-2-chloropyridin-3-yl]-3-(2,3-dihydro-1-benzofuran-6-yl)propanoate Traditional Name: (3S)-3-[6-[benzyl(isopropyl)amino]-2-chloro-3-pyridyl]-3-coumaran-6-yl-propionic acid tert-butyl ester Formula: C30H35ClN2O3 MolecularWeight: 507.0635

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C2=NC(=C(C=C2)C(CC(=O)OC(C)(C)C)C3=CC4=C(CCO4)C=C3)Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C2=NC(=C(C=C2)[C@@H](CC(=O)OC(C)(C)C)C3=CC4=C(CCO4)C=C3)Cl

InChI

InChI=1S/C30H35ClN2O3/c1-20(2)33(19-21-9-7-6-8-10-21)27-14-13-24(29(31)32-27)25(18-28(34)36-30(3,4)5)23-12-11-22-15-16-35-26(22)17-23/h6-14,17,20,25H,15-16,18-19H2,1-5H3/t25-/m0/s1