ethyl 3-[7-[2-(2-methylpiperidin-4-yl)oxyethanoyl-phenylmethoxycarbonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoate

Systemtic Name: ethyl 3-[7-[2-(2-methylpiperidin-4-yl)oxyethanoyl-phenylmethoxycarbonyl-amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Openeye Name: ethyl 3-[7-[benzyloxycarbonyl-[2-[(2-methyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoate CAS Name: 3-[7-[[2-[(2-methyl-4-piperidinyl)oxy]-1-oxoethyl]-phenylmethoxycarbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[[2-(2-methylpiperidin-4-yl)oxyacetyl]-phenylmethoxycarbonylamino]-3,4-dihydro-1H-isoquinolin-2-yl]propanoate Traditional Name: 3-[7-[carbobenzoxy-[2-[(2-methyl-4-piperidyl)oxy]acetyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]propionic acid ethyl ester Formula: C30H39N3O6 MolecularWeight: 537.64716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC2=C(C1)C=C(C=C2)N(C(=O)COC3CCNC(C3)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1CCC2=C(C1)C=C(C=C2)N(C(=O)COC3CCNC(C3)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H39N3O6/c1-3-37-29(35)13-16-32-15-12-24-9-10-26(18-25(24)19-32)33(30(36)39-20-23-7-5-4-6-8-23)28(34)21-38-27-11-14-31-22(2)17-27/h4-10,18,22,27,31H,3,11-17,19-21H2,1-2H3