3-[[2-[[2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-(phenylmethyl)amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[2-[[2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-(phenylmethyl)amino]-2-oxidanylidene-ethyl]carbamoylamino]benzoic acid Openeye Name: 3-[[2-[benzyl-[2-(p-tolylmethyl)tetralin-1-yl]amino]-2-oxo-ethyl]carbamoylamino]benzoic acid CAS Name: 3-[[[[2-[[2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-(phenylmethyl)amino]-2-oxoethyl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-[benzyl-[2-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]carbamoylamino]benzoic acid Traditional Name: 3-[[2-[benzyl-[2-(4-methylbenzyl)tetralin-1-yl]amino]-2-keto-ethyl]carbamoylamino]benzoic acid Formula: C35H35N3O4 MolecularWeight: 561.6701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CCC3=CC=CC=C3C2N(CC4=CC=CC=C4)C(=O)CNC(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2CCC3=CC=CC=C3C2N(CC4=CC=CC=C4)C(=O)CNC(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C35H35N3O4/c1-24-14-16-25(17-15-24)20-28-19-18-27-10-5-6-13-31(27)33(28)38(23-26-8-3-2-4-9-26)32(39)22-36-35(42)37-30-12-7-11-29(21-30)34(40)41/h2-17,21,28,33H,18-20,22-23H2,1H3,(H,40,41)(H2,36,37,42)