2-[[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[[[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-methylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-methylcarbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[[(1-carbethoxy-3-phenyl-propyl)amino]-methyl-carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NN(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NN(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C24H29N3O5/c1-3-32-23(30)20(14-13-17-9-5-4-6-10-17)25-26(2)24(31)27-16-19-12-8-7-11-18(19)15-21(27)22(28)29/h4-12,20-21,25H,3,13-16H2,1-2H3,(H,28,29)