(3S)-3-ethyl-7-[2-(5-ethylpyridin-2-yl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: (3S)-3-ethyl-7-[2-(5-ethylpyridin-2-yl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: (3S)-2-benzyl-3-ethyl-7-[2-(5-ethyl-2-pyridyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: (3S)-3-ethyl-7-[2-(5-ethyl-2-pyridinyl)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: (3S)-2-benzyl-3-ethyl-7-[2-(5-ethylpyridin-2-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: (3S)-2-benzyl-3-ethyl-7-[2-(5-ethyl-2-pyridyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C28H31N2O3- MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C=C2)OCCC3=NC=C(C=C3)CC)C(N1CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CC2=C(C=C(C=C2)OCCC3=NC=C(C=C3)CC)C(N1CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C28H32N2O3/c1-3-20-10-12-23(29-18-20)14-15-33-25-13-11-22-16-24(4-2)30(19-21-8-6-5-7-9-21)27(28(31)32)26(22)17-25/h5-13,17-18,24,27H,3-4,14-16,19H2,1-2H3,(H,31,32)/p-1/t24-,27?/m0/s1