ethyl 1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Systemtic Name: ethyl 1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Openeye Name: ethyl 1-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate CAS Name: 1-[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate Traditional Name: 1-[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid ethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C(N1)C(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2C(N1)C(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5/c1-4-31-24(29)20-14-18-12-8-9-13-19(18)22(26-20)23(28)21(16(2)3)27-25(30)32-15-17-10-6-5-7-11-17/h5-13,16,20-22,26H,4,14-15H2,1-3H3,(H,27,30)