4-[4-(aminomethyl)phenyl]-1-[ethyl(methylamino)carbamoyl]-3-propyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-[4-(aminomethyl)phenyl]-1-[ethyl(methylamino)carbamoyl]-3-propyl-naphthalene-2-carboxylic acid Openeye Name: 4-[4-(aminomethyl)phenyl]-1-[ethyl(methylamino)carbamoyl]-3-propyl-naphthalene-2-carboxylic acid CAS Name: 4-[4-(aminomethyl)phenyl]-1-[[ethyl(methylamino)amino]-oxomethyl]-3-propyl-2-naphthalenecarboxylic acid IUPAC Name: 4-[4-(aminomethyl)phenyl]-1-[ethyl(methylamino)carbamoyl]-3-propylnaphthalene-2-carboxylic acid Traditional Name: 4-[4-(aminomethyl)phenyl]-1-[ethyl(methylamino)carbamoyl]-3-propyl-2-naphthoic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=CC=CC=C2C(=C1C(=O)O)C(=O)N(CC)NC)C3=CC=C(C=C3)CN

Isomeric SMILES

CCCC1=C(C2=CC=CC=C2C(=C1C(=O)O)C(=O)N(CC)NC)C3=CC=C(C=C3)CN

InChI

InChI=1S/C25H29N3O3/c1-4-8-20-21(17-13-11-16(15-26)12-14-17)18-9-6-7-10-19(18)22(23(20)25(30)31)24(29)28(5-2)27-3/h6-7,9-14,27H,4-5,8,15,26H2,1-3H3,(H,30,31)