2-benzamidoethanoic acid; 1-ethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 2-benzamidoethanoic acid; 1-ethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline Openeye Name: 2-benzamidoacetic acid; 1-ethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline CAS Name: 2-benzamidoacetic acid; 1-ethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 2-benzamidoacetic acid; 1-ethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline Traditional Name: 2-benzamidoacetic acid; 1-ethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C(CN1)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)NCC(=O)O

Isomeric SMILES

CCC1C2=CC=CC=C2C(CN1)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C17H19N.C9H9NO3/c1-2-17-15-11-7-6-10-14(15)16(12-18-17)13-8-4-3-5-9-13;11-8(12)6-10-9(13)7-4-2-1-3-5-7/h3-11,16-18H,2,12H2,1H3;1-5H,6H2,(H,10,13)(H,11,12)