2-azanyl-3-[(4-methoxycarbonylphenyl)methoxy]-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-azanyl-3-[(4-methoxycarbonylphenyl)methoxy]-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid Openeye Name: 2-amino-5-benzyl-3-[(4-methoxycarbonylphenyl)methoxy]-4-(4-methoxyphenyl)sulfonyl-benzoic acid CAS Name: 2-amino-3-[(4-methoxycarbonylphenyl)methoxy]-4-(4-methoxyphenyl)sulfonyl-5-(phenylmethyl)benzoic acid IUPAC Name: 2-amino-5-benzyl-3-[(4-methoxycarbonylphenyl)methoxy]-4-(4-methoxyphenyl)sulfonylbenzoic acid Traditional Name: 2-amino-5-benzyl-3-(4-carbomethoxybenzyl)oxy-4-(4-methoxyphenyl)sulfonyl-benzoic acid Formula: C30H27NO8S MolecularWeight: 561.60228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCC3=CC=C(C=C3)C(=O)OC)N)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2OCC3=CC=C(C=C3)C(=O)OC)N)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C30H27NO8S/c1-37-23-12-14-24(15-13-23)40(35,36)28-22(16-19-6-4-3-5-7-19)17-25(29(32)33)26(31)27(28)39-18-20-8-10-21(11-9-20)30(34)38-2/h3-15,17H,16,18,31H2,1-2H3,(H,32,33)