2-[[4-[(cyclohexylamino)methyl]-3-naphthalen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-[(cyclohexylamino)methyl]-3-naphthalen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-[(cyclohexylamino)methyl]-3-(naphthalene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]amino]acetic acid CAS Name: 2-[[4-[(cyclohexylamino)methyl]-3-[2-naphthalenyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]amino]acetic acid IUPAC Name: 2-[[4-[(cyclohexylamino)methyl]-3-(naphthalene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]amino]acetic acid Traditional Name: 2-[[4-[(cyclohexylamino)methyl]-3-(2-naphthoyl)-3,4-dihydro-1H-isoquinolin-2-yl]amino]acetic acid Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2C(N(CC3=CC=CC=C23)NCC(=O)O)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)NCC2C(N(CC3=CC=CC=C23)NCC(=O)O)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H33N3O3/c33-27(34)18-31-32-19-23-10-6-7-13-25(23)26(17-30-24-11-2-1-3-12-24)28(32)29(35)22-15-14-20-8-4-5-9-21(20)16-22/h4-10,13-16,24,26,28,30-31H,1-3,11-12,17-19H2,(H,33,34)