4-[3-(cyclopentylmethylamino)-2-methyl-3-oxidanylidene-propyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid

Systemtic Name: 4-[3-(cyclopentylmethylamino)-2-methyl-3-oxidanylidene-propyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Openeye Name: 4-[3-(cyclopentylmethylamino)-2-methyl-3-oxo-propyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid CAS Name: 4-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-3-methoxy-2-[(1-methyl-3-indolyl)methyl]benzoic acid IUPAC Name: 4-[3-(cyclopentylmethylamino)-2-methyl-3-oxopropyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Traditional Name: 4-[3-(cyclopentylmethylamino)-3-keto-2-methyl-propyl]-3-methoxy-2-[(1-methylindol-3-yl)methyl]benzoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C(C=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC)C(=O)NCC4CCCC4

Isomeric SMILES

CC(CC1=C(C(=C(C=C1)C(=O)O)CC2=CN(C3=CC=CC=C32)C)OC)C(=O)NCC4CCCC4

InChI

InChI=1S/C28H34N2O4/c1-18(27(31)29-16-19-8-4-5-9-19)14-20-12-13-23(28(32)33)24(26(20)34-3)15-21-17-30(2)25-11-7-6-10-22(21)25/h6-7,10-13,17-19H,4-5,8-9,14-16H2,1-3H3,(H,29,31)(H,32,33)