2,4-bis[(2-methylnaphthalen-1-yl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[(2-methylnaphthalen-1-yl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Openeye Name: 2,4-bis[(2-methyl-1-naphthyl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid CAS Name: 2,4-bis[[(2-methyl-1-naphthalenyl)-[(4-phenoxyphenyl)methyl]amino]-oxomethyl]cyclobutane-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[(2-methylnaphthalen-1-yl)-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutane-1,3-dicarboxylic acid Traditional Name: 2,4-bis[(2-methyl-1-naphthyl)-(4-phenoxybenzyl)carbamoyl]cyclobutane-1,3-dicarboxylic acid Formula: C56H46N2O8 MolecularWeight: 874.97304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)N(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5C(C(C5C(=O)O)C(=O)N(CC6=CC=C(C=C6)OC7=CC=CC=C7)C8=C(C=CC9=CC=CC=C98)C)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)N(CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)C5C(C(C5C(=O)O)C(=O)N(CC6=CC=C(C=C6)OC7=CC=CC=C7)C8=C(C=CC9=CC=CC=C98)C)C(=O)O

InChI

InChI=1S/C56H46N2O8/c1-35-21-27-39-13-9-11-19-45(39)51(35)57(33-37-23-29-43(30-24-37)65-41-15-5-3-6-16-41)53(59)47-49(55(61)62)48(50(47)56(63)64)54(60)58(52-36(2)22-28-40-14-10-12-20-46(40)52)34-38-25-31-44(32-26-38)66-42-17-7-4-8-18-42/h3-32,47-50H,33-34H2,1-2H3,(H,61,62)(H,63,64)