2-ethyl-1-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-butyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-ethyl-1-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-butyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-[(2-tert-butoxycarbonyl-4-phenyl-butyl)-ethyl-carbamoyl]-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-ethyl-1-[[ethyl-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenylbutyl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-ethyl-1-[ethyl-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylbutyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-[(2-tert-butoxycarbonyl-4-phenyl-butyl)-ethyl-carbamoyl]-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C30H40N2O5 MolecularWeight: 508.649

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(CC2=CC=CC=C2C1C(=O)N(CC)CC(CCC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCN1C(CC2=CC=CC=C2C1C(=O)N(CC)CC(CCC3=CC=CC=C3)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C30H40N2O5/c1-6-31(20-23(29(36)37-30(3,4)5)18-17-21-13-9-8-10-14-21)27(33)26-24-16-12-11-15-22(24)19-25(28(34)35)32(26)7-2/h8-16,23,25-26H,6-7,17-20H2,1-5H3,(H,34,35)