1-[2-[(1-ethoxycarbonylcyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-[2-[(1-ethoxycarbonylcyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 1-[2-[(1-ethoxycarbonylcyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 1-[2-[(1-ethoxycarbonylcyclohexyl)amino]-1-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 1-[2-[(1-ethoxycarbonylcyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 1-[2-[(1-carbethoxycyclohexyl)amino]propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C22H30N2O5 MolecularWeight: 402.484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1)NC(C)C(=O)C2C3=CC=CC=C3CC(N2)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCCCC1)NC(C)C(=O)C2C3=CC=CC=C3CC(N2)C(=O)O

InChI

InChI=1S/C22H30N2O5/c1-3-29-21(28)22(11-7-4-8-12-22)24-14(2)19(25)18-16-10-6-5-9-15(16)13-17(23-18)20(26)27/h5-6,9-10,14,17-18,23-24H,3-4,7-8,11-13H2,1-2H3,(H,26,27)