2-methoxycarbonyl-5-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]terephthalic acid

Systemtic Name: 2-methoxycarbonyl-5-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]terephthalic acid Openeye Name: 2-methoxycarbonyl-5-[(3-phenoxyphenyl)methyl-tetralin-1-yl-carbamoyl]terephthalic acid CAS Name: 2-methoxycarbonyl-5-[oxo-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]terephthalic acid IUPAC Name: 2-methoxycarbonyl-5-[(3-phenoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]terephthalic acid Traditional Name: 2-carbomethoxy-5-[(3-phenoxybenzyl)-tetralin-1-yl-carbamoyl]terephthalic acid Formula: C34H29NO8 MolecularWeight: 579.59596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)N(CC2=CC(=CC=C2)OC3=CC=CC=C3)C4CCCC5=CC=CC=C45)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)C(=O)O)C(=O)N(CC2=CC(=CC=C2)OC3=CC=CC=C3)C4CCCC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C34H29NO8/c1-42-34(41)29-19-27(32(37)38)26(18-28(29)33(39)40)31(36)35(30-16-8-11-22-10-5-6-15-25(22)30)20-21-9-7-14-24(17-21)43-23-12-3-2-4-13-23/h2-7,9-10,12-15,17-19,30H,8,11,16,20H2,1H3,(H,37,38)(H,39,40)