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

Systemtic Name: (3S)-3-ethyl-7-[2-(methylamino)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: (3S)-2-benzyl-3-ethyl-7-[2-(methylamino)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: (3S)-3-ethyl-7-[2-(methylamino)ethoxy]-2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: (3S)-2-benzyl-3-ethyl-7-[2-(methylamino)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: (3S)-2-benzyl-3-ethyl-7-[2-(methylamino)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C22H27N2O3- MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C=C2)OCCNC)C(N1CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CC2=C(C=C(C=C2)OCCNC)C(N1CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H28N2O3/c1-3-18-13-17-9-10-19(27-12-11-23-2)14-20(17)21(22(25)26)24(18)15-16-7-5-4-6-8-16/h4-10,14,18,21,23H,3,11-13,15H2,1-2H3,(H,25,26)/p-1/t18-,21?/m0/s1