3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[[4-(2-naphthyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(3-methyl-1-indolyl)methyl]-2-[[[4-(2-naphthalenyl)-4-oxanyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(3-methylindol-1-yl)methyl]-2-[[4-(2-naphthyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propionic acid Formula: C35H34N2O4 MolecularWeight: 546.65546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)CC3=CC(=C(C=C3)CCC(=O)O)C(=O)NC4(CCOCC4)C5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)CC3=CC(=C(C=C3)CCC(=O)O)C(=O)NC4(CCOCC4)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H34N2O4/c1-24-22-37(32-9-5-4-8-30(24)32)23-25-10-11-27(13-15-33(38)39)31(20-25)34(40)36-35(16-18-41-19-17-35)29-14-12-26-6-2-3-7-28(26)21-29/h2-12,14,20-22H,13,15-19,23H2,1H3,(H,36,40)(H,38,39)